N-[(2-aminoquinazolin-7-yl)methyl]benzamide

C16H14N4O — CID 172623023

IUPACN-[(2-aminoquinazolin-7-yl)methyl]benzamide
SMILESNc1ncc2ccc(CNC(=O)c3ccccc3)cc2n1
InChIInChI=1S/C16H14N4O/c17-16-19-10-13-7-6-11(8-14(13)20-16)9-18-15(21)12-4-2-1-3-5-12/h1-8,10H,9H2,(H,18,21)(H2,17,19,20)
InChIKeyMLOQMIUTYAUYJW-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.14
Rot. Bonds3

About N-[(2-aminoquinazolin-7-yl)methyl]benzamide

N-[(2-aminoquinazolin-7-yl)methyl]benzamide (PubChem CID 172623023) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[(2-aminoquinazolin-7-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(2-aminoquinazolin-7-yl)methyl]benzamide
PubChem CID172623023
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC NameN-[(2-aminoquinazolin-7-yl)methyl]benzamide
SMILESNc1ncc2ccc(CNC(=O)c3ccccc3)cc2n1
InChIInChI=1S/C16H14N4O/c17-16-19-10-13-7-6-11(8-14(13)20-16)9-18-15(21)12-4-2-1-3-5-12/h1-8,10H,9H2,(H,18,21)(H2,17,19,20)
InChIKeyMLOQMIUTYAUYJW-UHFFFAOYSA-N
XLogP2.14
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide
CID 172623055
N-(naphthalen-2-ylmethyl)benzamide
CID 47161333
N-[(2-aminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide
CID 172623172
N-[(2-aminoquinazolin-6-yl)methyl]-1-ethylindole-5-carboxamide
CID 172623119
2-amino-N-benzyl-4-methylpyrimidine-5-carboxamide
CID 1487920
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62721837
N-[(3-iodo-2H-indazol-5-yl)methyl]benzamide
CID 67451670
3,4-dichloro-N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide
CID 599695
4-(benzamidomethyl)benzoic acid
CID 10879683
6-(benzamidomethyl)-1-benzothiophene-2-carboxylic acid
CID 68864110
N-benzylquinazoline-6-carboxamide
CID 141061658
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminoquinazolin-7-yl)methyl]benzamide?
The IUPAC name of N-[(2-aminoquinazolin-7-yl)methyl]benzamide (CID 172623023) is N-[(2-aminoquinazolin-7-yl)methyl]benzamide.
What is the SMILES notation for N-[(2-aminoquinazolin-7-yl)methyl]benzamide?
The canonical SMILES for N-[(2-aminoquinazolin-7-yl)methyl]benzamide is Nc1ncc2ccc(CNC(=O)c3ccccc3)cc2n1.
What is the InChIKey of N-[(2-aminoquinazolin-7-yl)methyl]benzamide?
The InChIKey is MLOQMIUTYAUYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c17-16-19-10-13-7-6-11(8-14(13)20-16)9-18-15(21)12-4-2-1-3-5-12/h1-8,10H,9H2,(H,18,21)(H2,17,19,20).
What are the key properties of N-[(2-aminoquinazolin-7-yl)methyl]benzamide?
N-[(2-aminoquinazolin-7-yl)methyl]benzamide has a molecular weight of 278.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminoquinazolin-7-yl)methyl]benzamide is sourced from PubChem (CID 172623023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).