2-(4-benzoylanilino)-7-methyl-3,1-benzoxazin-4-one

C22H16N2O3 — CID 18762628

IUPAC2-(4-benzoylanilino)-7-methyl-3,1-benzoxazin-4-one
SMILESCc1ccc2c(=O)oc(Nc3ccc(C(=O)c4ccccc4)cc3)nc2c1
InChIInChI=1S/C22H16N2O3/c1-14-7-12-18-19(13-14)24-22(27-21(18)26)23-17-10-8-16(9-11-17)20(25)15-5-3-2-4-6-15/h2-13H,1H3,(H,23,24)
InChIKeySRPVIUOVOOFGQQ-UHFFFAOYSA-N
MW356.38 g/mol
LogP4.47
Rot. Bonds4

About 2-(4-benzoylanilino)-7-methyl-3,1-benzoxazin-4-one

2-(4-benzoylanilino)-7-methyl-3,1-benzoxazin-4-one (PubChem CID 18762628) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-(4-benzoylanilino)-7-methyl-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(4-benzoylanilino)-7-methyl-3,1-benzoxazin-4-one
PubChem CID18762628
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC Name2-(4-benzoylanilino)-7-methyl-3,1-benzoxazin-4-one
SMILESCc1ccc2c(=O)oc(Nc3ccc(C(=O)c4ccccc4)cc3)nc2c1
InChIInChI=1S/C22H16N2O3/c1-14-7-12-18-19(13-14)24-22(27-21(18)26)23-17-10-8-16(9-11-17)20(25)15-5-3-2-4-6-15/h2-13H,1H3,(H,23,24)
InChIKeySRPVIUOVOOFGQQ-UHFFFAOYSA-N
XLogP4.47
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-(4-methylanilino)-3,1-benzoxazin-4-one
CID 848487
6-methyl-N-phenyl-1,3-benzoxazol-2-amine
CID 59991820
2-(4-phenoxyanilino)-3,1-benzoxazin-4-one
CID 18762620
N-(4-oxo-3,1-benzoxazin-2-yl)benzamide
CID 10400687
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
1,1-dimethyl-3-[4-[(5-methyl-1,3-benzoxazol-2-yl)amino]phenyl]urea
CID 118289402
trans-(1S,2S)-2-[4-[4-[(6-methyl-1,3-benzoxazol-2-yl)amino]phenyl]benzoyl]cyclohexane-1-carboxylic acid
CID 67359518
2-(methylamino)-3,1-benzoxazin-4-one
CID 10241309
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3,1-benzoxazin-4-one
CID 10427069
2-anilino-N-hydroxy-1,3-benzoxazole-5-carboxamide
CID 129309352
2-(3-chloro-4-methylanilino)-1,3-benzoxazole-6-carboxylic acid
CID 116690416
methyl 4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoate
CID 1187533

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylanilino)-7-methyl-3,1-benzoxazin-4-one?
The IUPAC name of 2-(4-benzoylanilino)-7-methyl-3,1-benzoxazin-4-one (CID 18762628) is 2-(4-benzoylanilino)-7-methyl-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(4-benzoylanilino)-7-methyl-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(4-benzoylanilino)-7-methyl-3,1-benzoxazin-4-one is Cc1ccc2c(=O)oc(Nc3ccc(C(=O)c4ccccc4)cc3)nc2c1.
What is the InChIKey of 2-(4-benzoylanilino)-7-methyl-3,1-benzoxazin-4-one?
The InChIKey is SRPVIUOVOOFGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3/c1-14-7-12-18-19(13-14)24-22(27-21(18)26)23-17-10-8-16(9-11-17)20(25)15-5-3-2-4-6-15/h2-13H,1H3,(H,23,24).
What are the key properties of 2-(4-benzoylanilino)-7-methyl-3,1-benzoxazin-4-one?
2-(4-benzoylanilino)-7-methyl-3,1-benzoxazin-4-one has a molecular weight of 356.38 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylanilino)-7-methyl-3,1-benzoxazin-4-one is sourced from PubChem (CID 18762628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).