2-(1,3-benzoxazol-2-ylamino)-1-methylquinazolin-4-one

C16H12N4O2 — CID 920400

IUPAC2-(1,3-benzoxazol-2-ylamino)-1-methylquinazolin-4-one
SMILESCn1c(Nc2nc3ccccc3o2)nc(=O)c2ccccc21
InChIInChI=1S/C16H12N4O2/c1-20-12-8-4-2-6-10(12)14(21)18-15(20)19-16-17-11-7-3-5-9-13(11)22-16/h2-9H,1H3,(H,17,18,19,21)
InChIKeyXXEUEZGNRLUQBG-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.82
Rot. Bonds2

About 2-(1,3-benzoxazol-2-ylamino)-1-methylquinazolin-4-one

2-(1,3-benzoxazol-2-ylamino)-1-methylquinazolin-4-one (PubChem CID 920400) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylamino)-1-methylquinazolin-4-one.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylamino)-1-methylquinazolin-4-one
PubChem CID920400
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name2-(1,3-benzoxazol-2-ylamino)-1-methylquinazolin-4-one
SMILESCn1c(Nc2nc3ccccc3o2)nc(=O)c2ccccc21
InChIInChI=1S/C16H12N4O2/c1-20-12-8-4-2-6-10(12)14(21)18-15(20)19-16-17-11-7-3-5-9-13(11)22-16/h2-9H,1H3,(H,17,18,19,21)
InChIKeyXXEUEZGNRLUQBG-UHFFFAOYSA-N
XLogP2.82
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N~2~-1,3-Benzoxazol-2-YL-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-L-alaninamide
CID 6420159
N-phenyl-1,3-benzoxazol-2-amine
CID 243391
N-Acetyl-N'-(5-methyl-benzooxazol-2-yl)-guanidine
CID 5762132
N-methyl-1,3-benzoxazol-2-amine
CID 590605
2-(1,3-Benzoxazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one
CID 664331
(2S)-3-cyclohexyl-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]-N-{2-[(4-fluorophenyl)amino]ethyl}propanamide
CID 11247716
(2S)-2-(1,3-benzoxazol-2-ylamino)-3-cyclohexyl-N-[(2S)-1-(5-fluoro-2,3-dihydro-1H-indol-1-yl)propan-2-yl]propanamide
CID 11294227
(2S)-3-cyclohexyl-2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-N-{2-[(4-fluorophenyl)amino]ethyl}propanamide
CID 11305296
(S)-2-(Benzooxazol-2-ylamino)-3-cyclohexyl-N-[2-(5-fluoro-2,3-dihydro-indol-1-yl)-ethyl]-propionamide
CID 11316876
(2S)-2-(1,3-benzoxazol-2-ylamino)-3-cyclohexyl-N-{2-[(4-fluorophenyl)amino]ethyl}propanamide
CID 11396148
N-(4-Ethylphenyl)-5-methylbenzo[d]oxazol-2-amine
CID 24759786
N-(4-Ethylphenyl)benzo[d]oxazol-2-amine
CID 39918957

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylamino)-1-methylquinazolin-4-one?
The IUPAC name of 2-(1,3-benzoxazol-2-ylamino)-1-methylquinazolin-4-one (CID 920400) is 2-(1,3-benzoxazol-2-ylamino)-1-methylquinazolin-4-one.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylamino)-1-methylquinazolin-4-one?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylamino)-1-methylquinazolin-4-one is Cn1c(Nc2nc3ccccc3o2)nc(=O)c2ccccc21.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylamino)-1-methylquinazolin-4-one?
The InChIKey is XXEUEZGNRLUQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c1-20-12-8-4-2-6-10(12)14(21)18-15(20)19-16-17-11-7-3-5-9-13(11)22-16/h2-9H,1H3,(H,17,18,19,21).
What are the key properties of 2-(1,3-benzoxazol-2-ylamino)-1-methylquinazolin-4-one?
2-(1,3-benzoxazol-2-ylamino)-1-methylquinazolin-4-one has a molecular weight of 292.30 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylamino)-1-methylquinazolin-4-one is sourced from PubChem (CID 920400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).