N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)acetamide

C19H19N3O2 — CID 135417617

IUPACN-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)acetamide
SMILESCC(=O)N(CCc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H19N3O2/c1-14(23)22(12-11-15-7-3-2-4-8-15)13-18-20-17-10-6-5-9-16(17)19(24)21-18/h2-10H,11-13H2,1H3,(H,20,21,24)
InChIKeyYLFDMMYJBVVGOP-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.51
Rot. Bonds5

About N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)acetamide

N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)acetamide (PubChem CID 135417617) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)acetamide
PubChem CID135417617
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)acetamide
SMILESCC(=O)N(CCc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H19N3O2/c1-14(23)22(12-11-15-7-3-2-4-8-15)13-18-20-17-10-6-5-9-16(17)19(24)21-18/h2-10H,11-13H2,1H3,(H,20,21,24)
InChIKeyYLFDMMYJBVVGOP-UHFFFAOYSA-N
XLogP2.51
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)propanamide
CID 135527538
2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)propanamide
CID 135429083
N-[2-(4-chlorophenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135417655
N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135429069
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)methanesulfonamide
CID 135592194
N-benzyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135478145
5-chloro-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 135509247
N-benzyl-4-(methylsulfanylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135910063
2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride
CID 146086015
N-benzyl-2-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135478220
N-benzyl-2-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135738056
1-methyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(2-phenylethyl)thiourea
CID 135570435

Frequently Asked Questions

What is the IUPAC name of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)acetamide (CID 135417617) is N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)acetamide is CC(=O)N(CCc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)acetamide?
The InChIKey is YLFDMMYJBVVGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14(23)22(12-11-15-7-3-2-4-8-15)13-18-20-17-10-6-5-9-16(17)19(24)21-18/h2-10H,11-13H2,1H3,(H,20,21,24).
What are the key properties of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)acetamide?
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)acetamide has a molecular weight of 321.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 135417617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).