2,2-dimethyl-1,3-dihydroquinazolin-4-one

C10H12N2O — CID 595161

IUPAC2,2-dimethyl-1,3-dihydroquinazolin-4-one
SMILESCC1(C)NC(=O)c2ccccc2N1
InChIInChI=1S/C10H12N2O/c1-10(2)11-8-6-4-3-5-7(8)9(13)12-10/h3-6,11H,1-2H3,(H,12,13)
InChIKeyBXJMRXBQNLKDCI-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.58
Rot. Bonds

About 2,2-dimethyl-1,3-dihydroquinazolin-4-one

2,2-dimethyl-1,3-dihydroquinazolin-4-one (PubChem CID 595161) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2,2-dimethyl-1,3-dihydroquinazolin-4-one
PubChem CID595161
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2,2-dimethyl-1,3-dihydroquinazolin-4-one
SMILESCC1(C)NC(=O)c2ccccc2N1
InChIInChI=1S/C10H12N2O/c1-10(2)11-8-6-4-3-5-7(8)9(13)12-10/h3-6,11H,1-2H3,(H,12,13)
InChIKeyBXJMRXBQNLKDCI-UHFFFAOYSA-N
XLogP1.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethyl-1,3-dihydroquinazolin-4-one
CID 12925301
2-(2-fluorophenyl)-2-methyl-1,3-dihydroquinazolin-4-one
CID 42883579
spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride
CID 68664926
(2R,3'R)-3'-methylspiro[1,3-dihydroquinazoline-2,1'-cyclohexane]-4-one
CID 95167747
(3S)-3-methyl-3-(2-methylpropyl)-1,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 71307997
2-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-1,3-dihydroquinazolin-4-one
CID 45113433
(2S)-4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate
CID 6920169
2-methyl-2-(2-propoxyphenyl)-1,3-dihydroquinazolin-4-one
CID 54779481
5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione;N,N-dimethylformamide
CID 139145821
ethyl 4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate
CID 5177010
2-(4-hexoxyphenyl)-2-methyl-1,3-dihydroquinazolin-4-one
CID 54779345
2-methyl-2-[2-(3-phenylpropoxy)phenyl]-1,3-dihydroquinazolin-4-one
CID 54780757

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-dihydroquinazolin-4-one?
The IUPAC name of 2,2-dimethyl-1,3-dihydroquinazolin-4-one (CID 595161) is 2,2-dimethyl-1,3-dihydroquinazolin-4-one.
What is the SMILES notation for 2,2-dimethyl-1,3-dihydroquinazolin-4-one?
The canonical SMILES for 2,2-dimethyl-1,3-dihydroquinazolin-4-one is CC1(C)NC(=O)c2ccccc2N1.
What is the InChIKey of 2,2-dimethyl-1,3-dihydroquinazolin-4-one?
The InChIKey is BXJMRXBQNLKDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-10(2)11-8-6-4-3-5-7(8)9(13)12-10/h3-6,11H,1-2H3,(H,12,13).
What are the key properties of 2,2-dimethyl-1,3-dihydroquinazolin-4-one?
2,2-dimethyl-1,3-dihydroquinazolin-4-one has a molecular weight of 176.22 g/mol, XLogP of 1.58, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-dihydroquinazolin-4-one is sourced from PubChem (CID 595161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).