2-(benzylamino)-N-(4-oxo-3H-quinazolin-7-yl)acetamide

C17H16N4O2 — CID 135899077

IUPAC2-(benzylamino)-N-(4-oxo-3H-quinazolin-7-yl)acetamide
SMILESO=C(CNCc1ccccc1)Nc1ccc2c(=O)[nH]cnc2c1
InChIInChI=1S/C17H16N4O2/c22-16(10-18-9-12-4-2-1-3-5-12)21-13-6-7-14-15(8-13)19-11-20-17(14)23/h1-8,11,18H,9-10H2,(H,21,22)(H,19,20,23)
InChIKeyOGDUZZWVYJOBCO-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.65
Rot. Bonds5

About 2-(benzylamino)-N-(4-oxo-3H-quinazolin-7-yl)acetamide

2-(benzylamino)-N-(4-oxo-3H-quinazolin-7-yl)acetamide (PubChem CID 135899077) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-(benzylamino)-N-(4-oxo-3H-quinazolin-7-yl)acetamide.

Molecular Properties

Compound Name2-(benzylamino)-N-(4-oxo-3H-quinazolin-7-yl)acetamide
PubChem CID135899077
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-(benzylamino)-N-(4-oxo-3H-quinazolin-7-yl)acetamide
SMILESO=C(CNCc1ccccc1)Nc1ccc2c(=O)[nH]cnc2c1
InChIInChI=1S/C17H16N4O2/c22-16(10-18-9-12-4-2-1-3-5-12)21-13-6-7-14-15(8-13)19-11-20-17(14)23/h1-8,11,18H,9-10H2,(H,21,22)(H,19,20,23)
InChIKeyOGDUZZWVYJOBCO-UHFFFAOYSA-N
XLogP1.65
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-(4-oxo-3H-quinazolin-7-yl)-2-phenylacetamide
CID 135899085
4-[(4-oxo-3H-quinazolin-7-yl)carbamoyl]-4-phenylpiperidine-1-carboxylic acid
CID 136648433
N-(4-oxo-3H-quinazolin-6-yl)benzamide
CID 174817735
2-(benzylamino)-N-(4-iodophenyl)acetamide
CID 2824675
2-(benzylamino)-N-[4-[5-[[2-(benzylamino)acetyl]amino]-1,3-benzoxazol-2-yl]phenyl]acetamide
CID 3816476
N-(4-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 108999707
3-(2,5-dimethylpyrrol-1-yl)-N-(4-oxo-3H-quinazolin-6-yl)propanamide
CID 135637599
2-(benzylamino)-N-(4-tert-butylphenyl)acetamide
CID 108996416
N-(4-oxo-3H-quinazolin-6-yl)-1-phenylcyclobutane-1-carboxamide
CID 154800942
2-(benzylamino)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)acetamide
CID 46890138
3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-N-(4-oxo-3H-quinazolin-6-yl)propanamide
CID 136869714
N-(3H-benzimidazol-5-yl)-2-(ethylamino)acetamide
CID 115157714

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-(4-oxo-3H-quinazolin-7-yl)acetamide?
The IUPAC name of 2-(benzylamino)-N-(4-oxo-3H-quinazolin-7-yl)acetamide (CID 135899077) is 2-(benzylamino)-N-(4-oxo-3H-quinazolin-7-yl)acetamide.
What is the SMILES notation for 2-(benzylamino)-N-(4-oxo-3H-quinazolin-7-yl)acetamide?
The canonical SMILES for 2-(benzylamino)-N-(4-oxo-3H-quinazolin-7-yl)acetamide is O=C(CNCc1ccccc1)Nc1ccc2c(=O)[nH]cnc2c1.
What is the InChIKey of 2-(benzylamino)-N-(4-oxo-3H-quinazolin-7-yl)acetamide?
The InChIKey is OGDUZZWVYJOBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-16(10-18-9-12-4-2-1-3-5-12)21-13-6-7-14-15(8-13)19-11-20-17(14)23/h1-8,11,18H,9-10H2,(H,21,22)(H,19,20,23).
What are the key properties of 2-(benzylamino)-N-(4-oxo-3H-quinazolin-7-yl)acetamide?
2-(benzylamino)-N-(4-oxo-3H-quinazolin-7-yl)acetamide has a molecular weight of 308.34 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-(4-oxo-3H-quinazolin-7-yl)acetamide is sourced from PubChem (CID 135899077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).