3-[(benzylamino)methyl]-7,8-dimethyl-1H-quinolin-2-one

C19H20N2O — CID 864730

IUPAC3-[(benzylamino)methyl]-7,8-dimethyl-1H-quinolin-2-one
SMILESCc1ccc2cc(CNCc3ccccc3)c(=O)[nH]c2c1C
InChIInChI=1S/C19H20N2O/c1-13-8-9-16-10-17(19(22)21-18(16)14(13)2)12-20-11-15-6-4-3-5-7-15/h3-10,20H,11-12H2,1-2H3,(H,21,22)
InChIKeySORBLGGVFVHXQQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.43
Rot. Bonds4

About 3-[(benzylamino)methyl]-7,8-dimethyl-1H-quinolin-2-one

3-[(benzylamino)methyl]-7,8-dimethyl-1H-quinolin-2-one (PubChem CID 864730) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[(benzylamino)methyl]-7,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(benzylamino)methyl]-7,8-dimethyl-1H-quinolin-2-one
PubChem CID864730
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name3-[(benzylamino)methyl]-7,8-dimethyl-1H-quinolin-2-one
SMILESCc1ccc2cc(CNCc3ccccc3)c(=O)[nH]c2c1C
InChIInChI=1S/C19H20N2O/c1-13-8-9-16-10-17(19(22)21-18(16)14(13)2)12-20-11-15-6-4-3-5-7-15/h3-10,20H,11-12H2,1-2H3,(H,21,22)
InChIKeySORBLGGVFVHXQQ-UHFFFAOYSA-N
XLogP3.43
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(benzylamino)methyl]-7-chloro-6-methyl-1H-quinolin-2-one
CID 18524471
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110325136
3-[(3-chloro-4-methylanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 25318828
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide
CID 110325145
1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea
CID 110326210
3-benzyl-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea
CID 651336
8-methyl-3-[[2-(2-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one
CID 3176401
3-[[(2-fluorophenyl)methylamino]methyl]-8-methyl-1H-quinolin-2-one
CID 18525037
3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one
CID 23009276
3-(2-amino-2-methylpropyl)-7,8-dimethyl-1H-quinolin-2-one
CID 84631386
7,8-dimethyl-3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]-1H-quinolin-2-one
CID 855490
7,8-dimethyl-3-[[(2-methylcyclohexyl)amino]methyl]-1H-quinolin-2-one
CID 3168144

Frequently Asked Questions

What is the IUPAC name of 3-[(benzylamino)methyl]-7,8-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[(benzylamino)methyl]-7,8-dimethyl-1H-quinolin-2-one (CID 864730) is 3-[(benzylamino)methyl]-7,8-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(benzylamino)methyl]-7,8-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(benzylamino)methyl]-7,8-dimethyl-1H-quinolin-2-one is Cc1ccc2cc(CNCc3ccccc3)c(=O)[nH]c2c1C.
What is the InChIKey of 3-[(benzylamino)methyl]-7,8-dimethyl-1H-quinolin-2-one?
The InChIKey is SORBLGGVFVHXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-13-8-9-16-10-17(19(22)21-18(16)14(13)2)12-20-11-15-6-4-3-5-7-15/h3-10,20H,11-12H2,1-2H3,(H,21,22).
What are the key properties of 3-[(benzylamino)methyl]-7,8-dimethyl-1H-quinolin-2-one?
3-[(benzylamino)methyl]-7,8-dimethyl-1H-quinolin-2-one has a molecular weight of 292.38 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(benzylamino)methyl]-7,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 864730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).