(3R)-3-amino-7-chloro-1-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydroquinolin-2-one

C17H16ClFN2O — CID 178034432

IUPAC(3R)-3-amino-7-chloro-1-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydroquinolin-2-one
SMILESC[C@@H](c1cccc(F)c1)N1C(=O)[C@H](N)Cc2ccc(Cl)cc21
InChIInChI=1S/C17H16ClFN2O/c1-10(11-3-2-4-14(19)7-11)21-16-9-13(18)6-5-12(16)8-15(20)17(21)22/h2-7,9-10,15H,8,20H2,1H3/t10-,15+/m0/s1
InChIKeyXTWCTKFYVMFWSG-ZUZCIYMTSA-N
MW318.78 g/mol
LogP3.46
Rot. Bonds2

About (3R)-3-amino-7-chloro-1-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydroquinolin-2-one

(3R)-3-amino-7-chloro-1-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydroquinolin-2-one (PubChem CID 178034432) has the molecular formula C17H16ClFN2O and a molecular weight of 318.78 g/mol. Its IUPAC name is (3R)-3-amino-7-chloro-1-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3R)-3-amino-7-chloro-1-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydroquinolin-2-one
PubChem CID178034432
Molecular FormulaC17H16ClFN2O
Molecular Weight318.78 g/mol
Exact Mass318.09
IUPAC Name(3R)-3-amino-7-chloro-1-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydroquinolin-2-one
SMILESC[C@@H](c1cccc(F)c1)N1C(=O)[C@H](N)Cc2ccc(Cl)cc21
InChIInChI=1S/C17H16ClFN2O/c1-10(11-3-2-4-14(19)7-11)21-16-9-13(18)6-5-12(16)8-15(20)17(21)22/h2-7,9-10,15H,8,20H2,1H3/t10-,15+/m0/s1
InChIKeyXTWCTKFYVMFWSG-ZUZCIYMTSA-N
XLogP3.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-7-(hydroxymethyl)-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one
CID 178034416
[(3R)-7-chloro-2-oxo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-3,4-dihydroquinolin-3-yl]urea
CID 178034334
(3R)-3-amino-7-chloro-8-fluoro-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one
CID 178034452
[(3R)-7-chloro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl] carbamate
CID 178034093
[7-chloro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl] N-(2,2,2-trichloroacetyl)carbamate
CID 178034338
tert-butyl N-[(3R)-1-[(1S)-1-(3-chlorophenyl)ethyl]-7-methylsulfonyl-2-oxo-3,4-dihydroquinolin-3-yl]carbamate
CID 178034442
3-amino-7-(2,5-difluorophenyl)-1-hydroxy-3,4-dihydroquinolin-2-one
CID 91256684
(3R)-3-amino-1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one
CID 178034521
[(3R)-6-fluoro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea
CID 178034082
2-[1-(3-fluorophenyl)ethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944485
1-[1-(3-fluorophenyl)ethyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64965949
1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64966045

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-7-chloro-1-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of (3R)-3-amino-7-chloro-1-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydroquinolin-2-one (CID 178034432) is (3R)-3-amino-7-chloro-1-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (3R)-3-amino-7-chloro-1-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for (3R)-3-amino-7-chloro-1-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydroquinolin-2-one is C[C@@H](c1cccc(F)c1)N1C(=O)[C@H](N)Cc2ccc(Cl)cc21.
What is the InChIKey of (3R)-3-amino-7-chloro-1-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydroquinolin-2-one?
The InChIKey is XTWCTKFYVMFWSG-ZUZCIYMTSA-N. The full InChI is InChI=1S/C17H16ClFN2O/c1-10(11-3-2-4-14(19)7-11)21-16-9-13(18)6-5-12(16)8-15(20)17(21)22/h2-7,9-10,15H,8,20H2,1H3/t10-,15+/m0/s1.
What are the key properties of (3R)-3-amino-7-chloro-1-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydroquinolin-2-one?
(3R)-3-amino-7-chloro-1-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydroquinolin-2-one has a molecular weight of 318.78 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-7-chloro-1-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 178034432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).