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

C19H19N3O2 — CID 135875449

IUPACN-methyl-2-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
SMILESCc1ccc(CC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C19H19N3O2/c1-13-7-9-14(10-8-13)11-18(23)22(2)12-17-20-16-6-4-3-5-15(16)19(24)21-17/h3-10H,11-12H2,1-2H3,(H,20,21,24)
InChIKeyVQKMDSHAKDPOED-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.43
Rot. Bonds4

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

N-methyl-2-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (PubChem CID 135875449) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-methyl-2-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
PubChem CID135875449
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-methyl-2-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
SMILESCc1ccc(CC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C19H19N3O2/c1-13-7-9-14(10-8-13)11-18(23)22(2)12-17-20-16-6-4-3-5-15(16)19(24)21-17/h3-10H,11-12H2,1-2H3,(H,20,21,24)
InChIKeyVQKMDSHAKDPOED-UHFFFAOYSA-N
XLogP2.43
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-naphthalen-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135690319
4-methyl-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 135903821
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 135690330
N-methyl-2-methylsulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135951735
(3R)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135877147
4-(2,5-dimethylphenyl)-N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide
CID 135877052
2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135848591
2-(4-fluorophenyl)sulfanyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135549167
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 135907474
2-[[methyl-[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]-3H-quinazolin-4-one
CID 136688103
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135599212
N-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 135935998

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (CID 135875449) is N-methyl-2-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is Cc1ccc(CC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of N-methyl-2-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The InChIKey is VQKMDSHAKDPOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13-7-9-14(10-8-13)11-18(23)22(2)12-17-20-16-6-4-3-5-15(16)19(24)21-17/h3-10H,11-12H2,1-2H3,(H,20,21,24).
What are the key properties of N-methyl-2-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
N-methyl-2-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide has a molecular weight of 321.38 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is sourced from PubChem (CID 135875449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).