2-methyl-6-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]-4H-1,4-benzoxazin-3-one

C20H22N2O2 — CID 22622940

IUPAC2-methyl-6-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(CNC3CCCc4ccccc43)cc2NC1=O
InChIInChI=1S/C20H22N2O2/c1-13-20(23)22-18-11-14(9-10-19(18)24-13)12-21-17-8-4-6-15-5-2-3-7-16(15)17/h2-3,5,7,9-11,13,17,21H,4,6,8,12H2,1H3,(H,22,23)
InChIKeyLEWGMNLPSDRYFH-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.57
Rot. Bonds3

About 2-methyl-6-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]-4H-1,4-benzoxazin-3-one

2-methyl-6-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]-4H-1,4-benzoxazin-3-one (PubChem CID 22622940) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-methyl-6-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]-4H-1,4-benzoxazin-3-one
PubChem CID22622940
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-methyl-6-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(CNC3CCCc4ccccc43)cc2NC1=O
InChIInChI=1S/C20H22N2O2/c1-13-20(23)22-18-11-14(9-10-19(18)24-13)12-21-17-8-4-6-15-5-2-3-7-16(15)17/h2-3,5,7,9-11,13,17,21H,4,6,8,12H2,1H3,(H,22,23)
InChIKeyLEWGMNLPSDRYFH-UHFFFAOYSA-N
XLogP3.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-6-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

6-[(cyclobutylamino)methyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 82498131
6-[[[3-[(benzylamino)methyl]phenyl]methylamino]methyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 22597518
6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 66716822
N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide
CID 75531448
(3S)-1-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]sulfonyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
CID 93043381
N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 43202744
N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]carbamoyl chloride
CID 115194667
1-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3-propan-2-ylurea
CID 110775237
6-[[chloromethyl(methyl)amino]methyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 115263215
N-[(2,4,5-trimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43220614
N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyridine-2-carboxamide
CID 110794357
N-[(2-ethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62391908

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 2-methyl-6-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]-4H-1,4-benzoxazin-3-one (CID 22622940) is 2-methyl-6-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-methyl-6-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 2-methyl-6-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]-4H-1,4-benzoxazin-3-one is CC1Oc2ccc(CNC3CCCc4ccccc43)cc2NC1=O.
What is the InChIKey of 2-methyl-6-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is LEWGMNLPSDRYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-13-20(23)22-18-11-14(9-10-19(18)24-13)12-21-17-8-4-6-15-5-2-3-7-16(15)17/h2-3,5,7,9-11,13,17,21H,4,6,8,12H2,1H3,(H,22,23).
What are the key properties of 2-methyl-6-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]-4H-1,4-benzoxazin-3-one?
2-methyl-6-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 322.41 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 22622940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).