N-benzylquinazoline-6-carboxamide

C16H13N3O — CID 141061658

IUPACN-benzylquinazoline-6-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2ncncc2c1
InChIInChI=1S/C16H13N3O/c20-16(18-9-12-4-2-1-3-5-12)13-6-7-15-14(8-13)10-17-11-19-15/h1-8,10-11H,9H2,(H,18,20)
InChIKeyCQRCBJNLSNPAAY-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.56
Rot. Bonds3

About N-benzylquinazoline-6-carboxamide

N-benzylquinazoline-6-carboxamide (PubChem CID 141061658) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is N-benzylquinazoline-6-carboxamide.

Molecular Properties

Compound NameN-benzylquinazoline-6-carboxamide
PubChem CID141061658
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC NameN-benzylquinazoline-6-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2ncncc2c1
InChIInChI=1S/C16H13N3O/c20-16(18-9-12-4-2-1-3-5-12)13-6-7-15-14(8-13)10-17-11-19-15/h1-8,10-11H,9H2,(H,18,20)
InChIKeyCQRCBJNLSNPAAY-UHFFFAOYSA-N
XLogP2.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide
CID 58387946
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192187
N-[[4-(benzenesulfonyl)phenyl]methyl]quinoline-6-carboxamide
CID 56943128
N-benzyl-2-methyl-1,3-benzothiazole-6-carboxamide
CID 3154693
N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191
4-amino-N-benzyl-2-methylquinoline-6-carboxamide
CID 15133405
N-(2-phenylethyl)quinoline-6-carboxamide
CID 2823262
3-hydroxy-N-(quinolin-3-ylmethyl)benzamide
CID 110472397
N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
CID 23653724
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
N-benzyl-3,4-difluorobenzamide
CID 1294460

Frequently Asked Questions

What is the IUPAC name of N-benzylquinazoline-6-carboxamide?
The IUPAC name of N-benzylquinazoline-6-carboxamide (CID 141061658) is N-benzylquinazoline-6-carboxamide.
What is the SMILES notation for N-benzylquinazoline-6-carboxamide?
The canonical SMILES for N-benzylquinazoline-6-carboxamide is O=C(NCc1ccccc1)c1ccc2ncncc2c1.
What is the InChIKey of N-benzylquinazoline-6-carboxamide?
The InChIKey is CQRCBJNLSNPAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c20-16(18-9-12-4-2-1-3-5-12)13-6-7-15-14(8-13)10-17-11-19-15/h1-8,10-11H,9H2,(H,18,20).
What are the key properties of N-benzylquinazoline-6-carboxamide?
N-benzylquinazoline-6-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylquinazoline-6-carboxamide is sourced from PubChem (CID 141061658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).