N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide

C20H16N2O3 — CID 9145051

IUPACN-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide
SMILESC[C@@H]1Oc2ccc(NC(=O)c3ccc4ccccc4c3)cc2NC1=O
InChIInChI=1S/C20H16N2O3/c1-12-19(23)22-17-11-16(8-9-18(17)25-12)21-20(24)15-7-6-13-4-2-3-5-14(13)10-15/h2-12H,1H3,(H,21,24)(H,22,23)/t12-/m0/s1
InChIKeyBHKDATRIJQHLSU-LBPRGKRZSA-N
MW332.36 g/mol
LogP3.81
Rot. Bonds2

About N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide

N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide (PubChem CID 9145051) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide
PubChem CID9145051
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC NameN-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide
SMILESC[C@@H]1Oc2ccc(NC(=O)c3ccc4ccccc4c3)cc2NC1=O
InChIInChI=1S/C20H16N2O3/c1-12-19(23)22-17-11-16(8-9-18(17)25-12)21-20(24)15-7-6-13-4-2-3-5-14(13)10-15/h2-12H,1H3,(H,21,24)(H,22,23)/t12-/m0/s1
InChIKeyBHKDATRIJQHLSU-LBPRGKRZSA-N
XLogP3.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 43056263
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-naphthalen-2-yl-4-oxobutanamide
CID 9147983
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-phenylbenzamide
CID 9145109
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,3-benzodioxole-5-carboxamide
CID 9145088
N-(4-acetamidophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110683124
3-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 18129774
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-1-carboxamide
CID 41096038
3-methoxy-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide
CID 9145079
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]furan-3-carboxamide
CID 51640081
2-hydroxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 18129767
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-(trifluoromethyl)benzamide
CID 17413197
(3S)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 25396823

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide (CID 9145051) is N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide is C[C@@H]1Oc2ccc(NC(=O)c3ccc4ccccc4c3)cc2NC1=O.
What is the InChIKey of N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide?
The InChIKey is BHKDATRIJQHLSU-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-12-19(23)22-17-11-16(8-9-18(17)25-12)21-20(24)15-7-6-13-4-2-3-5-14(13)10-15/h2-12H,1H3,(H,21,24)(H,22,23)/t12-/m0/s1.
What are the key properties of N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide?
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 9145051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).