2-(6-chloro-4-oxoquinazolin-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

C17H12ClN5O3 — CID 8005577

IUPAC2-(6-chloro-4-oxoquinazolin-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESO=C(Cn1cnc2ccc(Cl)cc2c1=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H12ClN5O3/c18-9-1-3-12-11(5-9)16(25)23(8-19-12)7-15(24)20-10-2-4-13-14(6-10)22-17(26)21-13/h1-6,8H,7H2,(H,20,24)(H2,21,22,26)
InChIKeyAINKPBQTRPZWCH-UHFFFAOYSA-N
MW369.77 g/mol
LogP1.86
Rot. Bonds3

About 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

2-(6-chloro-4-oxoquinazolin-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (PubChem CID 8005577) has the molecular formula C17H12ClN5O3 and a molecular weight of 369.77 g/mol. Its IUPAC name is 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-4-oxoquinazolin-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
PubChem CID8005577
Molecular FormulaC17H12ClN5O3
Molecular Weight369.77 g/mol
Exact Mass369.06
IUPAC Name2-(6-chloro-4-oxoquinazolin-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESO=C(Cn1cnc2ccc(Cl)cc2c1=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H12ClN5O3/c18-9-1-3-12-11(5-9)16(25)23(8-19-12)7-15(24)20-10-2-4-13-14(6-10)22-17(26)21-13/h1-6,8H,7H2,(H,20,24)(H2,21,22,26)
InChIKeyAINKPBQTRPZWCH-UHFFFAOYSA-N
XLogP1.86
TPSA112.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.77
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 5011290
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-nitrophenyl)acetamide
CID 8536853
N-(4-chloro-2-methylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 3475689
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 27033610
N-[4-[(2S)-butan-2-yl]phenyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 7587529
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-nitrophenyl)acetamide
CID 9355985
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 9355991
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 3311632
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 7488504
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 8536635
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-chloro-2-methylphenyl)acetamide
CID 7275237
N-(3,4-dichlorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 84601847

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The IUPAC name of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (CID 8005577) is 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is O=C(Cn1cnc2ccc(Cl)cc2c1=O)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The InChIKey is AINKPBQTRPZWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O3/c18-9-1-3-12-11(5-9)16(25)23(8-19-12)7-15(24)20-10-2-4-13-14(6-10)22-17(26)21-13/h1-6,8H,7H2,(H,20,24)(H2,21,22,26).
What are the key properties of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide has a molecular weight of 369.77 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 8005577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).