(2R)-3-[6-[5-[(2-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(2-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(3,5-dimethylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[6-methoxy-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[6-methoxy-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide

C129H125Cl2F6N25O25S5 — CID 159543791

IUPAC(2R)-3-[6-[5-[(2-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(2-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(3,5-dimethylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[6-methoxy-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[6-methoxy-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
SMILESCNC(=O)[C@@H](C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4cc(C)cc(C)c4)c3)cc2c1=O.CNC(=O)[C@@H](C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)c3)cc2c1=O.CNC(=O)[C@@H](C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccccc4Cl)c3)cc2c1=O.CNC(=O)[C@H](C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)c3)cc2c1=O.CNC(=O)[C@H](C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccccc4Cl)c3)cc2c1=O
InChIInChI=1S/C27H29N5O5S.2C26H24F3N5O5S.2C25H24ClN5O5S/c1-16-8-17(2)10-21(9-16)38(35,36)31-24-12-20(13-29-26(24)37-5)19-6-7-23-22(11-19)27(34)32(15-30-23)14-18(3)25(33)28-4;2*1-15(23(35)30-2)13-34-14-32-21-9-4-16(10-20(21)25(34)36)17-11-22(24(39-3)31-12-17)33-40(37,38)19-7-5-18(6-8-19)26(27,28)29;2*1-15(23(32)27-2)13-31-14-29-20-9-8-16(10-18(20)25(31)33)17-11-21(24(36-3)28-12-17)30-37(34,35)22-7-5-4-6-19(22)26/h6-13,15,18,31H,14H2,1-5H3,(H,28,33);2*4-12,14-15,33H,13H2,1-3H3,(H,30,35);2*4-12,14-15,30H,13H2,1-3H3,(H,27,32)/t18-;4*15-/m01010/s1
InChIKeyMENSATLTNCXPHI-VQZUITKYSA-N
MW2770.80 g/mol
LogP17.21
Rot. Bonds40

About (2R)-3-[6-[5-[(2-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(2-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(3,5-dimethylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[6-methoxy-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[6-methoxy-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide

(2R)-3-[6-[5-[(2-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(2-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(3,5-dimethylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[6-methoxy-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[6-methoxy-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide (PubChem CID 159543791) has the molecular formula C129H125Cl2F6N25O25S5 and a molecular weight of 2770.80 g/mol. Its IUPAC name is (2R)-3-[6-[5-[(2-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(2-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(3,5-dimethylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[6-methoxy-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[6-methoxy-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name(2R)-3-[6-[5-[(2-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(2-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(3,5-dimethylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[6-methoxy-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[6-methoxy-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
PubChem CID159543791
Molecular FormulaC129H125Cl2F6N25O25S5
Molecular Weight2770.80 g/mol
Exact Mass2767.72
IUPAC Name(2R)-3-[6-[5-[(2-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(2-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(3,5-dimethylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[6-methoxy-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[6-methoxy-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
SMILESCNC(=O)[C@@H](C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4cc(C)cc(C)c4)c3)cc2c1=O.CNC(=O)[C@@H](C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)c3)cc2c1=O.CNC(=O)[C@@H](C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccccc4Cl)c3)cc2c1=O.CNC(=O)[C@H](C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)c3)cc2c1=O.CNC(=O)[C@H](C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccccc4Cl)c3)cc2c1=O
InChIInChI=1S/C27H29N5O5S.2C26H24F3N5O5S.2C25H24ClN5O5S/c1-16-8-17(2)10-21(9-16)38(35,36)31-24-12-20(13-29-26(24)37-5)19-6-7-23-22(11-19)27(34)32(15-30-23)14-18(3)25(33)28-4;2*1-15(23(35)30-2)13-34-14-32-21-9-4-16(10-20(21)25(34)36)17-11-22(24(39-3)31-12-17)33-40(37,38)19-7-5-18(6-8-19)26(27,28)29;2*1-15(23(32)27-2)13-31-14-29-20-9-8-16(10-18(20)25(31)33)17-11-21(24(36-3)28-12-17)30-37(34,35)22-7-5-4-6-19(22)26/h6-13,15,18,31H,14H2,1-5H3,(H,28,33);2*4-12,14-15,33H,13H2,1-3H3,(H,30,35);2*4-12,14-15,30H,13H2,1-3H3,(H,27,32)/t18-;4*15-/m01010/s1
InChIKeyMENSATLTNCXPHI-VQZUITKYSA-N
XLogP17.21
TPSA661.40 Ų
H-Bond Donors10
H-Bond Acceptors40
Rotatable Bonds40
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002770.80
LogP ≤ 517.21
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1040

Analyze (2R)-3-[6-[5-[(2-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(2-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(3,5-dimethylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[6-methoxy-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[6-methoxy-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[6-[5-[(2-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(2-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(3,5-dimethylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[6-methoxy-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[6-methoxy-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?
The IUPAC name of (2R)-3-[6-[5-[(2-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(2-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(3,5-dimethylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[6-methoxy-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[6-methoxy-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide (CID 159543791) is (2R)-3-[6-[5-[(2-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(2-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(3,5-dimethylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[6-methoxy-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[6-methoxy-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide.
What is the SMILES notation for (2R)-3-[6-[5-[(2-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(2-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(3,5-dimethylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[6-methoxy-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[6-methoxy-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?
The canonical SMILES for (2R)-3-[6-[5-[(2-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(2-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(3,5-dimethylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[6-methoxy-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[6-methoxy-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide is CNC(=O)[C@@H](C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4cc(C)cc(C)c4)c3)cc2c1=O.CNC(=O)[C@@H](C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)c3)cc2c1=O.CNC(=O)[C@@H](C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccccc4Cl)c3)cc2c1=O.CNC(=O)[C@H](C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)c3)cc2c1=O.CNC(=O)[C@H](C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccccc4Cl)c3)cc2c1=O.
What is the InChIKey of (2R)-3-[6-[5-[(2-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(2-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(3,5-dimethylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[6-methoxy-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[6-methoxy-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?
The InChIKey is MENSATLTNCXPHI-VQZUITKYSA-N. The full InChI is InChI=1S/C27H29N5O5S.2C26H24F3N5O5S.2C25H24ClN5O5S/c1-16-8-17(2)10-21(9-16)38(35,36)31-24-12-20(13-29-26(24)37-5)19-6-7-23-22(11-19)27(34)32(15-30-23)14-18(3)25(33)28-4;2*1-15(23(35)30-2)13-34-14-32-21-9-4-16(10-20(21)25(34)36)17-11-22(24(39-3)31-12-17)33-40(37,38)19-7-5-18(6-8-19)26(27,28)29;2*1-15(23(32)27-2)13-31-14-29-20-9-8-16(10-18(20)25(31)33)17-11-21(24(36-3)28-12-17)30-37(34,35)22-7-5-4-6-19(22)26/h6-13,15,18,31H,14H2,1-5H3,(H,28,33);2*4-12,14-15,33H,13H2,1-3H3,(H,30,35);2*4-12,14-15,30H,13H2,1-3H3,(H,27,32)/t18-;4*15-/m01010/s1.
What are the key properties of (2R)-3-[6-[5-[(2-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(2-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(3,5-dimethylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[6-methoxy-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[6-methoxy-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?
(2R)-3-[6-[5-[(2-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(2-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(3,5-dimethylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[6-methoxy-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[6-methoxy-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide has a molecular weight of 2770.80 g/mol, XLogP of 17.21, 40 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[6-[5-[(2-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(2-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(3,5-dimethylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[6-methoxy-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[6-methoxy-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 159543791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).