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

C25H23Cl2N5O5S — CID 146867894

IUPAC3-[6-[5-[(2,6-dichlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4c(Cl)cccc4Cl)c3)cc2c1=O
InChIInChI=1S/C25H23Cl2N5O5S/c1-14(23(33)28-2)12-32-13-30-20-8-7-15(9-17(20)25(32)34)16-10-21(24(37-3)29-11-16)31-38(35,36)22-18(26)5-4-6-19(22)27/h4-11,13-14,31H,12H2,1-3H3,(H,28,33)
InChIKeySMRUGXUNUFOAQT-UHFFFAOYSA-N
MW576.46 g/mol
LogP3.96
Rot. Bonds8

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

3-[6-[5-[(2,6-dichlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide (PubChem CID 146867894) has the molecular formula C25H23Cl2N5O5S and a molecular weight of 576.46 g/mol. Its IUPAC name is 3-[6-[5-[(2,6-dichlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[6-[5-[(2,6-dichlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
PubChem CID146867894
Molecular FormulaC25H23Cl2N5O5S
Molecular Weight576.46 g/mol
Exact Mass575.08
IUPAC Name3-[6-[5-[(2,6-dichlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4c(Cl)cccc4Cl)c3)cc2c1=O
InChIInChI=1S/C25H23Cl2N5O5S/c1-14(23(33)28-2)12-32-13-30-20-8-7-15(9-17(20)25(32)34)16-10-21(24(37-3)29-11-16)31-38(35,36)22-18(26)5-4-6-19(22)27/h4-11,13-14,31H,12H2,1-3H3,(H,28,33)
InChIKeySMRUGXUNUFOAQT-UHFFFAOYSA-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 3-[6-[5-[(2,6-dichlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?
The IUPAC name of 3-[6-[5-[(2,6-dichlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide (CID 146867894) is 3-[6-[5-[(2,6-dichlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[6-[5-[(2,6-dichlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[6-[5-[(2,6-dichlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide is CNC(=O)C(C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4c(Cl)cccc4Cl)c3)cc2c1=O.
What is the InChIKey of 3-[6-[5-[(2,6-dichlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?
The InChIKey is SMRUGXUNUFOAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N5O5S/c1-14(23(33)28-2)12-32-13-30-20-8-7-15(9-17(20)25(32)34)16-10-21(24(37-3)29-11-16)31-38(35,36)22-18(26)5-4-6-19(22)27/h4-11,13-14,31H,12H2,1-3H3,(H,28,33).
What are the key properties of 3-[6-[5-[(2,6-dichlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?
3-[6-[5-[(2,6-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 3-[6-[5-[(2,6-dichlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 146867894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).