(3R)-3-amino-7-chloro-8-fluoro-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one

C17H16ClFN2O — CID 178034452

IUPAC(3R)-3-amino-7-chloro-8-fluoro-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one
SMILESC[C@@H](c1ccccc1)N1C(=O)[C@H](N)Cc2ccc(Cl)c(F)c21
InChIInChI=1S/C17H16ClFN2O/c1-10(11-5-3-2-4-6-11)21-16-12(9-14(20)17(21)22)7-8-13(18)15(16)19/h2-8,10,14H,9,20H2,1H3/t10-,14+/m0/s1
InChIKeyQUAQOXOVQZCQNE-IINYFYTJSA-N
MW318.78 g/mol
LogP3.46
Rot. Bonds2

About (3R)-3-amino-7-chloro-8-fluoro-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one

(3R)-3-amino-7-chloro-8-fluoro-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one (PubChem CID 178034452) has the molecular formula C17H16ClFN2O and a molecular weight of 318.78 g/mol. Its IUPAC name is (3R)-3-amino-7-chloro-8-fluoro-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3R)-3-amino-7-chloro-8-fluoro-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one
PubChem CID178034452
Molecular FormulaC17H16ClFN2O
Molecular Weight318.78 g/mol
Exact Mass318.09
IUPAC Name(3R)-3-amino-7-chloro-8-fluoro-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one
SMILESC[C@@H](c1ccccc1)N1C(=O)[C@H](N)Cc2ccc(Cl)c(F)c21
InChIInChI=1S/C17H16ClFN2O/c1-10(11-5-3-2-4-6-11)21-16-12(9-14(20)17(21)22)7-8-13(18)15(16)19/h2-8,10,14H,9,20H2,1H3/t10-,14+/m0/s1
InChIKeyQUAQOXOVQZCQNE-IINYFYTJSA-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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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-7-chloro-8-fluoro-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of (3R)-3-amino-7-chloro-8-fluoro-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one (CID 178034452) is (3R)-3-amino-7-chloro-8-fluoro-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (3R)-3-amino-7-chloro-8-fluoro-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for (3R)-3-amino-7-chloro-8-fluoro-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one is C[C@@H](c1ccccc1)N1C(=O)[C@H](N)Cc2ccc(Cl)c(F)c21.
What is the InChIKey of (3R)-3-amino-7-chloro-8-fluoro-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one?
The InChIKey is QUAQOXOVQZCQNE-IINYFYTJSA-N. The full InChI is InChI=1S/C17H16ClFN2O/c1-10(11-5-3-2-4-6-11)21-16-12(9-14(20)17(21)22)7-8-13(18)15(16)19/h2-8,10,14H,9,20H2,1H3/t10-,14+/m0/s1.
What are the key properties of (3R)-3-amino-7-chloro-8-fluoro-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one?
(3R)-3-amino-7-chloro-8-fluoro-1-[(1S)-1-phenylethyl]-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-8-fluoro-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 178034452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).