2-(methylamino)-N-(4-oxo-3H-quinazolin-7-yl)-2-phenylacetamide

C17H16N4O2 — CID 135899085

IUPAC2-(methylamino)-N-(4-oxo-3H-quinazolin-7-yl)-2-phenylacetamide
SMILESCNC(C(=O)Nc1ccc2c(=O)[nH]cnc2c1)c1ccccc1
InChIInChI=1S/C17H16N4O2/c1-18-15(11-5-3-2-4-6-11)17(23)21-12-7-8-13-14(9-12)19-10-20-16(13)22/h2-10,15,18H,1H3,(H,21,23)(H,19,20,22)
InChIKeyJMUGRMRXGFOXOO-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.82
Rot. Bonds4

About 2-(methylamino)-N-(4-oxo-3H-quinazolin-7-yl)-2-phenylacetamide

2-(methylamino)-N-(4-oxo-3H-quinazolin-7-yl)-2-phenylacetamide (PubChem CID 135899085) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-(methylamino)-N-(4-oxo-3H-quinazolin-7-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(methylamino)-N-(4-oxo-3H-quinazolin-7-yl)-2-phenylacetamide
PubChem CID135899085
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-(methylamino)-N-(4-oxo-3H-quinazolin-7-yl)-2-phenylacetamide
SMILESCNC(C(=O)Nc1ccc2c(=O)[nH]cnc2c1)c1ccccc1
InChIInChI=1S/C17H16N4O2/c1-18-15(11-5-3-2-4-6-11)17(23)21-12-7-8-13-14(9-12)19-10-20-16(13)22/h2-10,15,18H,1H3,(H,21,23)(H,19,20,22)
InChIKeyJMUGRMRXGFOXOO-UHFFFAOYSA-N
XLogP1.82
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-oxo-3H-quinazolin-6-yl)benzamide
CID 174817735
2-(methylamino)-2-phenyl-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 146675512
N-methyl-2-(methylamino)-2-phenylacetamide
CID 3738076
4-[(4-oxo-3H-quinazolin-7-yl)carbamoyl]-4-phenylpiperidine-1-carboxylic acid
CID 136648433
7-[(3R)-3-amino-2-oxo-3-phenylpropyl]-3H-quinazolin-4-one
CID 148905393
N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-phenylbutanamide
CID 136531921
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-oxo-3H-quinazolin-6-yl)propanamide
CID 136756966
2-amino-N-(1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide
CID 68873416
ethane;7-methyl-3H-quinazolin-4-one
CID 143636831
N-(4-oxo-3H-quinazolin-6-yl)-1-phenylcyclobutane-1-carboxamide
CID 154800942
7-(1-nitrosoethyl)-3H-quinazolin-4-one
CID 137028703
N-(3-methylbutyl)-4-oxo-3H-quinazoline-7-carboxamide
CID 135633054

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(4-oxo-3H-quinazolin-7-yl)-2-phenylacetamide?
The IUPAC name of 2-(methylamino)-N-(4-oxo-3H-quinazolin-7-yl)-2-phenylacetamide (CID 135899085) is 2-(methylamino)-N-(4-oxo-3H-quinazolin-7-yl)-2-phenylacetamide.
What is the SMILES notation for 2-(methylamino)-N-(4-oxo-3H-quinazolin-7-yl)-2-phenylacetamide?
The canonical SMILES for 2-(methylamino)-N-(4-oxo-3H-quinazolin-7-yl)-2-phenylacetamide is CNC(C(=O)Nc1ccc2c(=O)[nH]cnc2c1)c1ccccc1.
What is the InChIKey of 2-(methylamino)-N-(4-oxo-3H-quinazolin-7-yl)-2-phenylacetamide?
The InChIKey is JMUGRMRXGFOXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-18-15(11-5-3-2-4-6-11)17(23)21-12-7-8-13-14(9-12)19-10-20-16(13)22/h2-10,15,18H,1H3,(H,21,23)(H,19,20,22).
What are the key properties of 2-(methylamino)-N-(4-oxo-3H-quinazolin-7-yl)-2-phenylacetamide?
2-(methylamino)-N-(4-oxo-3H-quinazolin-7-yl)-2-phenylacetamide has a molecular weight of 308.34 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(4-oxo-3H-quinazolin-7-yl)-2-phenylacetamide is sourced from PubChem (CID 135899085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).