6-[amino-(2-methylphenyl)methyl]-1-ethyl-3,4-dihydroquinolin-2-one

C19H22N2O — CID 82173906

IUPAC6-[amino-(2-methylphenyl)methyl]-1-ethyl-3,4-dihydroquinolin-2-one
SMILESCCN1C(=O)CCc2cc(C(N)c3ccccc3C)ccc21
InChIInChI=1S/C19H22N2O/c1-3-21-17-10-8-15(12-14(17)9-11-18(21)22)19(20)16-7-5-4-6-13(16)2/h4-8,10,12,19H,3,9,11,20H2,1-2H3
InChIKeySMRSKMAYDQNHIC-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.34
Rot. Bonds3

About 6-[amino-(2-methylphenyl)methyl]-1-ethyl-3,4-dihydroquinolin-2-one

6-[amino-(2-methylphenyl)methyl]-1-ethyl-3,4-dihydroquinolin-2-one (PubChem CID 82173906) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 6-[amino-(2-methylphenyl)methyl]-1-ethyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[amino-(2-methylphenyl)methyl]-1-ethyl-3,4-dihydroquinolin-2-one
PubChem CID82173906
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name6-[amino-(2-methylphenyl)methyl]-1-ethyl-3,4-dihydroquinolin-2-one
SMILESCCN1C(=O)CCc2cc(C(N)c3ccccc3C)ccc21
InChIInChI=1S/C19H22N2O/c1-3-21-17-10-8-15(12-14(17)9-11-18(21)22)19(20)16-7-5-4-6-13(16)2/h4-8,10,12,19H,3,9,11,20H2,1-2H3
InChIKeySMRSKMAYDQNHIC-UHFFFAOYSA-N
XLogP3.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-6-[hydroxy-(4-methylphenyl)methyl]-3,4-dihydroquinolin-2-one
CID 82173929
1-ethyl-3,4-dihydroquinolin-2-one
CID 14580225
1-ethyl-7-(1-hydroxyethyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 82176086
5-(1-amino-2-phenylethyl)-1-ethyl-3H-indol-2-one
CID 82172041
6-amino-1-[(2-methylphenyl)methyl]-3,4-dihydroquinolin-2-one
CID 43446579
5-(1-amino-2-phenoxyethyl)-1-ethyl-3H-indol-2-one
CID 82172043
1-ethyl-7-(1-hydroxy-3-methylbutyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 82176092
3-[amino(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-ethylpyridin-2-one
CID 82527218
1-ethyl-2-oxo-N-propan-2-yl-3,4-dihydroquinoline-6-sulfonamide
CID 119055614
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-methylpropanamide
CID 20933542
5-[amino-(2-iodophenyl)methyl]-1-methyl-3H-indol-2-one
CID 43119567
1-ethyl-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 115259576

Frequently Asked Questions

What is the IUPAC name of 6-[amino-(2-methylphenyl)methyl]-1-ethyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[amino-(2-methylphenyl)methyl]-1-ethyl-3,4-dihydroquinolin-2-one (CID 82173906) is 6-[amino-(2-methylphenyl)methyl]-1-ethyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[amino-(2-methylphenyl)methyl]-1-ethyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[amino-(2-methylphenyl)methyl]-1-ethyl-3,4-dihydroquinolin-2-one is CCN1C(=O)CCc2cc(C(N)c3ccccc3C)ccc21.
What is the InChIKey of 6-[amino-(2-methylphenyl)methyl]-1-ethyl-3,4-dihydroquinolin-2-one?
The InChIKey is SMRSKMAYDQNHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-3-21-17-10-8-15(12-14(17)9-11-18(21)22)19(20)16-7-5-4-6-13(16)2/h4-8,10,12,19H,3,9,11,20H2,1-2H3.
What are the key properties of 6-[amino-(2-methylphenyl)methyl]-1-ethyl-3,4-dihydroquinolin-2-one?
6-[amino-(2-methylphenyl)methyl]-1-ethyl-3,4-dihydroquinolin-2-one has a molecular weight of 294.40 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(2-methylphenyl)methyl]-1-ethyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 82173906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).