4-chloro-N-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzamide

C17H14ClN3O4 — CID 135399509

IUPAC4-chloro-N-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzamide
SMILESCOc1cc2nc(NC(=O)c3ccc(Cl)cc3)[nH]c(=O)c2cc1OC
InChIInChI=1S/C17H14ClN3O4/c1-24-13-7-11-12(8-14(13)25-2)19-17(21-16(11)23)20-15(22)9-3-5-10(18)6-4-9/h3-8H,1-2H3,(H2,19,20,21,22,23)
InChIKeyQLADIYYPOGXCOF-UHFFFAOYSA-N
MW359.77 g/mol
LogP2.85
Rot. Bonds4

About 4-chloro-N-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzamide

4-chloro-N-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzamide (PubChem CID 135399509) has the molecular formula C17H14ClN3O4 and a molecular weight of 359.77 g/mol. Its IUPAC name is 4-chloro-N-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzamide
PubChem CID135399509
Molecular FormulaC17H14ClN3O4
Molecular Weight359.77 g/mol
Exact Mass359.07
IUPAC Name4-chloro-N-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzamide
SMILESCOc1cc2nc(NC(=O)c3ccc(Cl)cc3)[nH]c(=O)c2cc1OC
InChIInChI=1S/C17H14ClN3O4/c1-24-13-7-11-12(8-14(13)25-2)19-17(21-16(11)23)20-15(22)9-3-5-10(18)6-4-9/h3-8H,1-2H3,(H2,19,20,21,22,23)
InChIKeyQLADIYYPOGXCOF-UHFFFAOYSA-N
XLogP2.85
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6,7-dimethoxy-4-oxo-1,4-dihydroquinazolin-2-yl)benzamide
CID 135399549
6,7-Dimethoxy-3H-quinazolin-4-one
CID 135495016
N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide
CID 2810066
3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-1H-quinazoline-2,4-dione
CID 4322106
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-chlorobenzamide
CID 2834224
6,7-dimethoxy-2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135511100
7-Benzyloxy-6-methoxy-3H-quinazolin-4-one
CID 135404718
2-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)-4-fluorobenzamide
CID 2810152
N-[(2-chlorophenyl)methyl]-4-(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)butanamide
CID 15988240
4-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide
CID 2810145
6,7-dimethoxy-2-[(E)-2-phenylethenyl]-3H-quinazolin-4-one
CID 136094185
2-Amino-6,7-dimethoxy-3,4-dihydroquinazolin-4-one
CID 135547026

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzamide?
The IUPAC name of 4-chloro-N-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzamide (CID 135399509) is 4-chloro-N-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzamide is COc1cc2nc(NC(=O)c3ccc(Cl)cc3)[nH]c(=O)c2cc1OC.
What is the InChIKey of 4-chloro-N-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzamide?
The InChIKey is QLADIYYPOGXCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4/c1-24-13-7-11-12(8-14(13)25-2)19-17(21-16(11)23)20-15(22)9-3-5-10(18)6-4-9/h3-8H,1-2H3,(H2,19,20,21,22,23).
What are the key properties of 4-chloro-N-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzamide?
4-chloro-N-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzamide has a molecular weight of 359.77 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzamide is sourced from PubChem (CID 135399509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).