(2R)-3-[6-[5-[(2,4-dichlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide

C25H23Cl2N5O5S — CID 147268726

IUPAC(2R)-3-[6-[5-[(2,4-dichlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
SMILESCNC(=O)[C@H](C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(Cl)cc4Cl)c3)cc2c1=O
InChIInChI=1S/C25H23Cl2N5O5S/c1-14(23(33)28-2)12-32-13-30-20-6-4-15(8-18(20)25(32)34)16-9-21(24(37-3)29-11-16)31-38(35,36)22-7-5-17(26)10-19(22)27/h4-11,13-14,31H,12H2,1-3H3,(H,28,33)/t14-/m1/s1
InChIKeyCPZOUHPRLUDTSP-CQSZACIVSA-N
MW576.46 g/mol
LogP3.96
Rot. Bonds8

About (2R)-3-[6-[5-[(2,4-dichlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide

(2R)-3-[6-[5-[(2,4-dichlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide (PubChem CID 147268726) has the molecular formula C25H23Cl2N5O5S and a molecular weight of 576.46 g/mol. Its IUPAC name is (2R)-3-[6-[5-[(2,4-dichlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name(2R)-3-[6-[5-[(2,4-dichlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
PubChem CID147268726
Molecular FormulaC25H23Cl2N5O5S
Molecular Weight576.46 g/mol
Exact Mass575.08
IUPAC Name(2R)-3-[6-[5-[(2,4-dichlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
SMILESCNC(=O)[C@H](C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(Cl)cc4Cl)c3)cc2c1=O
InChIInChI=1S/C25H23Cl2N5O5S/c1-14(23(33)28-2)12-32-13-30-20-6-4-15(8-18(20)25(32)34)16-9-21(24(37-3)29-11-16)31-38(35,36)22-7-5-17(26)10-19(22)27/h4-11,13-14,31H,12H2,1-3H3,(H,28,33)/t14-/m1/s1
InChIKeyCPZOUHPRLUDTSP-CQSZACIVSA-N
XLogP3.96
TPSA132.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.46
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[6-[5-[(2,4-dichlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?
The IUPAC name of (2R)-3-[6-[5-[(2,4-dichlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide (CID 147268726) is (2R)-3-[6-[5-[(2,4-dichlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide.
What is the SMILES notation for (2R)-3-[6-[5-[(2,4-dichlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?
The canonical SMILES for (2R)-3-[6-[5-[(2,4-dichlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide is CNC(=O)[C@H](C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(Cl)cc4Cl)c3)cc2c1=O.
What is the InChIKey of (2R)-3-[6-[5-[(2,4-dichlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?
The InChIKey is CPZOUHPRLUDTSP-CQSZACIVSA-N. The full InChI is InChI=1S/C25H23Cl2N5O5S/c1-14(23(33)28-2)12-32-13-30-20-6-4-15(8-18(20)25(32)34)16-9-21(24(37-3)29-11-16)31-38(35,36)22-7-5-17(26)10-19(22)27/h4-11,13-14,31H,12H2,1-3H3,(H,28,33)/t14-/m1/s1.
What are the key properties of (2R)-3-[6-[5-[(2,4-dichlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?
(2R)-3-[6-[5-[(2,4-dichlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide has a molecular weight of 576.46 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[6-[5-[(2,4-dichlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 147268726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).