N,N-dimethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide

C12H14N4O2 — CID 137264056

IUPACN,N-dimethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide
SMILESCN(C)C(=O)CNc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C12H14N4O2/c1-16(2)10(17)7-13-12-14-9-6-4-3-5-8(9)11(18)15-12/h3-6H,7H2,1-2H3,(H2,13,14,15,18)
InChIKeyDPLIFWWIQNKGOI-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.42
Rot. Bonds3

About N,N-dimethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide

N,N-dimethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide (PubChem CID 137264056) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N,N-dimethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide
PubChem CID137264056
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN,N-dimethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide
SMILESCN(C)C(=O)CNc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C12H14N4O2/c1-16(2)10(17)7-13-12-14-9-6-4-3-5-8(9)11(18)15-12/h3-6H,7H2,1-2H3,(H2,13,14,15,18)
InChIKeyDPLIFWWIQNKGOI-UHFFFAOYSA-N
XLogP0.42
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-ethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide
CID 137264386
2-(propylamino)-3H-quinazolin-4-one
CID 135439661
2-[[4-(dimethylamino)phenyl]methylamino]-3H-quinazolin-4-one
CID 137264078
2-[(3-hydroxy-3-phenylbutyl)amino]-3H-quinazolin-4-one
CID 137267444
2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]-3H-quinazolin-4-one
CID 137271068
2-[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3H-quinazolin-4-one
CID 136747967
2-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-3H-quinazolin-4-one
CID 137266334
N,N-dimethyl-2-[methyl-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]acetamide
CID 135729584
2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3H-quinazolin-4-one
CID 137264057
3-(1H-benzimidazol-2-ylamino)-N,N-dimethylpropanamide
CID 55025805
(2S)-3-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]butanoic acid
CID 137098060
2-[(4-methoxy-2,2-dimethylbutyl)amino]-3H-quinazolin-4-one
CID 137273780

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide (CID 137264056) is N,N-dimethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide is CN(C)C(=O)CNc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N,N-dimethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide?
The InChIKey is DPLIFWWIQNKGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-16(2)10(17)7-13-12-14-9-6-4-3-5-8(9)11(18)15-12/h3-6H,7H2,1-2H3,(H2,13,14,15,18).
What are the key properties of N,N-dimethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide?
N,N-dimethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide has a molecular weight of 246.27 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide is sourced from PubChem (CID 137264056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).