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

C21H18N2O4 — CID 9145079

IUPAC3-methoxy-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2
InChIInChI=1S/C21H18N2O4/c1-12-20(24)23-17-11-15(7-8-18(17)27-12)22-21(25)16-9-13-5-3-4-6-14(13)10-19(16)26-2/h3-12H,1-2H3,(H,22,25)(H,23,24)/t12-/m0/s1
InChIKeyKOIUMFPJLDSPDW-LBPRGKRZSA-N
MW362.39 g/mol
LogP3.82
Rot. Bonds3

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

3-methoxy-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide (PubChem CID 9145079) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 3-methoxy-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide
PubChem CID9145079
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name3-methoxy-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2
InChIInChI=1S/C21H18N2O4/c1-12-20(24)23-17-11-15(7-8-18(17)27-12)22-21(25)16-9-13-5-3-4-6-14(13)10-19(16)26-2/h3-12H,1-2H3,(H,22,25)(H,23,24)/t12-/m0/s1
InChIKeyKOIUMFPJLDSPDW-LBPRGKRZSA-N
XLogP3.82
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 17392422
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-1-carboxamide
CID 41096038
2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 17413196
2-hydroxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 18129767
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide
CID 9145051
2-bromo-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
CID 40810154
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-propoxybenzamide
CID 35574928
2-(2-methoxyphenoxy)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 9145221
3-bromo-4-methoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
CID 9147464
2-butoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
CID 35574920
5-(4-methoxyphenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1H-pyrazole-4-carboxamide
CID 25390529
3-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1-phenylpyrazole-4-carboxamide
CID 41104750

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide?
The IUPAC name of 3-methoxy-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide (CID 9145079) is 3-methoxy-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2.
What is the InChIKey of 3-methoxy-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide?
The InChIKey is KOIUMFPJLDSPDW-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-12-20(24)23-17-11-15(7-8-18(17)27-12)22-21(25)16-9-13-5-3-4-6-14(13)10-19(16)26-2/h3-12H,1-2H3,(H,22,25)(H,23,24)/t12-/m0/s1.
What are the key properties of 3-methoxy-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide?
3-methoxy-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 9145079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).