N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]methanesulfonamide

C21H19N5O4S — CID 57405314

IUPACN-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1NS(C)(=O)=O
InChIInChI=1S/C21H19N5O4S/c1-30-19-18(25-31(2,28)29)11-14(12-23-19)13-8-9-17-16(10-13)20(27)26(21(22)24-17)15-6-4-3-5-7-15/h3-12,25H,1-2H3,(H2,22,24)
InChIKeyCVFBATDOQSKZOU-UHFFFAOYSA-N
MW437.48 g/mol
LogP2.41
Rot. Bonds5

About N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]methanesulfonamide

N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]methanesulfonamide (PubChem CID 57405314) has the molecular formula C21H19N5O4S and a molecular weight of 437.48 g/mol. Its IUPAC name is N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]methanesulfonamide
PubChem CID57405314
Molecular FormulaC21H19N5O4S
Molecular Weight437.48 g/mol
Exact Mass437.12
IUPAC NameN-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1NS(C)(=O)=O
InChIInChI=1S/C21H19N5O4S/c1-30-19-18(25-31(2,28)29)11-14(12-23-19)13-8-9-17-16(10-13)20(27)26(21(22)24-17)15-6-4-3-5-7-15/h3-12,25H,1-2H3,(H2,22,24)
InChIKeyCVFBATDOQSKZOU-UHFFFAOYSA-N
XLogP2.41
TPSA129.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]methanesulfonamide (CID 57405314) is N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]methanesulfonamide is COc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]methanesulfonamide?
The InChIKey is CVFBATDOQSKZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4S/c1-30-19-18(25-31(2,28)29)11-14(12-23-19)13-8-9-17-16(10-13)20(27)26(21(22)24-17)15-6-4-3-5-7-15/h3-12,25H,1-2H3,(H2,22,24).
What are the key properties of N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]methanesulfonamide?
N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]methanesulfonamide has a molecular weight of 437.48 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 57405314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).