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

C17H17ClN2O — CID 106863380

IUPAC6-amino-1-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydroquinolin-2-one
SMILESCc1ccc(CN2C(=O)CCc3cc(N)ccc32)c(Cl)c1
InChIInChI=1S/C17H17ClN2O/c1-11-2-3-13(15(18)8-11)10-20-16-6-5-14(19)9-12(16)4-7-17(20)21/h2-3,5-6,8-9H,4,7,10,19H2,1H3
InChIKeyXXVVKGOSLQLDID-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.71
Rot. Bonds2

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

6-amino-1-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydroquinolin-2-one (PubChem CID 106863380) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 6-amino-1-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-amino-1-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydroquinolin-2-one
PubChem CID106863380
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name6-amino-1-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydroquinolin-2-one
SMILESCc1ccc(CN2C(=O)CCc3cc(N)ccc32)c(Cl)c1
InChIInChI=1S/C17H17ClN2O/c1-11-2-3-13(15(18)8-11)10-20-16-6-5-14(19)9-12(16)4-7-17(20)21/h2-3,5-6,8-9H,4,7,10,19H2,1H3
InChIKeyXXVVKGOSLQLDID-UHFFFAOYSA-N
XLogP3.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.71
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

1-[(2-chloro-4-methylphenyl)methyl]-2,3-dihydroindol-5-amine
CID 106864189
6-amino-1-[(2-methylphenyl)methyl]-3,4-dihydroquinolin-2-one
CID 43446579
6-amino-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydroquinolin-2-one
CID 61311449
3-chloro-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
CID 63405916
6-amino-1-[(2,6-difluorophenyl)methyl]-3,4-dihydroquinolin-2-one
CID 114930164
1-[(2,5-dimethylphenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
CID 79783150
6-amino-1-(2-ethylbutyl)-3,4-dihydroquinolin-2-one
CID 82926292
6-amino-1-(2-sulfanylethyl)-3,4-dihydroquinolin-2-one
CID 115223654
1-[(4-amino-2-fluorophenyl)methyl]-3,4-dihydroquinolin-2-one
CID 64769062
1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-methyl-3,4-dihydroquinolin-2-one
CID 123588520
6-amino-1-[(1-aminocyclopropyl)methyl]-3,4-dihydroquinolin-2-one
CID 115256369
1-[(2-chloro-4-methylphenyl)methyl]-5-methylindole-2,3-dione
CID 106864247

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-amino-1-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydroquinolin-2-one (CID 106863380) is 6-amino-1-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-amino-1-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-amino-1-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydroquinolin-2-one is Cc1ccc(CN2C(=O)CCc3cc(N)ccc32)c(Cl)c1.
What is the InChIKey of 6-amino-1-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydroquinolin-2-one?
The InChIKey is XXVVKGOSLQLDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-11-2-3-13(15(18)8-11)10-20-16-6-5-14(19)9-12(16)4-7-17(20)21/h2-3,5-6,8-9H,4,7,10,19H2,1H3.
What are the key properties of 6-amino-1-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydroquinolin-2-one?
6-amino-1-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydroquinolin-2-one has a molecular weight of 300.79 g/mol, XLogP of 3.71, 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-chloro-4-methylphenyl)methyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 106863380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).