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

C17H18N2O — CID 43446579

IUPAC6-amino-1-[(2-methylphenyl)methyl]-3,4-dihydroquinolin-2-one
SMILESCc1ccccc1CN1C(=O)CCc2cc(N)ccc21
InChIInChI=1S/C17H18N2O/c1-12-4-2-3-5-14(12)11-19-16-8-7-15(18)10-13(16)6-9-17(19)20/h2-5,7-8,10H,6,9,11,18H2,1H3
InChIKeySHBZOCVWTONJFS-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.06
Rot. Bonds2

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

6-amino-1-[(2-methylphenyl)methyl]-3,4-dihydroquinolin-2-one (PubChem CID 43446579) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-amino-1-[(2-methylphenyl)methyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-amino-1-[(2-methylphenyl)methyl]-3,4-dihydroquinolin-2-one
PubChem CID43446579
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name6-amino-1-[(2-methylphenyl)methyl]-3,4-dihydroquinolin-2-one
SMILESCc1ccccc1CN1C(=O)CCc2cc(N)ccc21
InChIInChI=1S/C17H18N2O/c1-12-4-2-3-5-14(12)11-19-16-8-7-15(18)10-13(16)6-9-17(19)20/h2-5,7-8,10H,6,9,11,18H2,1H3
InChIKeySHBZOCVWTONJFS-UHFFFAOYSA-N
XLogP3.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-1-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydroquinolin-2-one
CID 106863380
6-amino-1-[(2,6-difluorophenyl)methyl]-3,4-dihydroquinolin-2-one
CID 114930164
1-[(4-amino-2-fluorophenyl)methyl]-3,4-dihydroquinolin-2-one
CID 64769062
6-amino-1-(2-ethylbutyl)-3,4-dihydroquinolin-2-one
CID 82926292
6-amino-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydroquinolin-2-one
CID 61311449
6-amino-1-(2-sulfanylethyl)-3,4-dihydroquinolin-2-one
CID 115223654
6-amino-1-(2-phenylsulfanylethyl)-3,4-dihydroquinolin-2-one
CID 79227394
1-[(2,5-dimethylphenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
CID 79783150
2-[(2-methylphenyl)methyl]-1,3-dihydroisoindol-5-amine
CID 43175797
6-amino-1-[(1-aminocyclopropyl)methyl]-3,4-dihydroquinolin-2-one
CID 115256369
6-amino-1-[3-(dimethylamino)propyl]-3,4-dihydroquinolin-2-one
CID 53392260
2-[(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-3-methylbutanenitrile
CID 115254242

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[(2-methylphenyl)methyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-amino-1-[(2-methylphenyl)methyl]-3,4-dihydroquinolin-2-one (CID 43446579) is 6-amino-1-[(2-methylphenyl)methyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-amino-1-[(2-methylphenyl)methyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-amino-1-[(2-methylphenyl)methyl]-3,4-dihydroquinolin-2-one is Cc1ccccc1CN1C(=O)CCc2cc(N)ccc21.
What is the InChIKey of 6-amino-1-[(2-methylphenyl)methyl]-3,4-dihydroquinolin-2-one?
The InChIKey is SHBZOCVWTONJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-4-2-3-5-14(12)11-19-16-8-7-15(18)10-13(16)6-9-17(19)20/h2-5,7-8,10H,6,9,11,18H2,1H3.
What are the key properties of 6-amino-1-[(2-methylphenyl)methyl]-3,4-dihydroquinolin-2-one?
6-amino-1-[(2-methylphenyl)methyl]-3,4-dihydroquinolin-2-one has a molecular weight of 266.34 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[(2-methylphenyl)methyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 43446579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).