2-(7-chloro-4-oxoquinolin-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide

C19H16ClFN2O2 — CID 100739457

IUPAC2-(7-chloro-4-oxoquinolin-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)Cn1ccc(=O)c2ccc(Cl)cc21)c1ccc(F)cc1
InChIInChI=1S/C19H16ClFN2O2/c1-12(13-2-5-15(21)6-3-13)22-19(25)11-23-9-8-18(24)16-7-4-14(20)10-17(16)23/h2-10,12H,11H2,1H3,(H,22,25)/t12-/m0/s1
InChIKeyMWGQTTBQFKNQGA-LBPRGKRZSA-N
MW358.80 g/mol
LogP3.67
Rot. Bonds4

About 2-(7-chloro-4-oxoquinolin-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide

2-(7-chloro-4-oxoquinolin-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 100739457) has the molecular formula C19H16ClFN2O2 and a molecular weight of 358.80 g/mol. Its IUPAC name is 2-(7-chloro-4-oxoquinolin-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(7-chloro-4-oxoquinolin-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
PubChem CID100739457
Molecular FormulaC19H16ClFN2O2
Molecular Weight358.80 g/mol
Exact Mass358.09
IUPAC Name2-(7-chloro-4-oxoquinolin-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)Cn1ccc(=O)c2ccc(Cl)cc21)c1ccc(F)cc1
InChIInChI=1S/C19H16ClFN2O2/c1-12(13-2-5-15(21)6-3-13)22-19(25)11-23-9-8-18(24)16-7-4-14(20)10-17(16)23/h2-10,12H,11H2,1H3,(H,22,25)/t12-/m0/s1
InChIKeyMWGQTTBQFKNQGA-LBPRGKRZSA-N
XLogP3.67
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(7-chloro-4-oxoquinolin-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-fluoro-4-oxoquinolin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 100742748
2-(7-chloro-4-oxoquinolin-1-yl)-N-(4-chlorophenyl)acetamide
CID 100738455
2-(7-chloro-4-oxoquinolin-1-yl)-N-(2,6-diethylphenyl)acetamide
CID 100739307
2-(7-bromo-4-oxoquinolin-1-yl)-N-propan-2-ylacetamide
CID 100739512
2-(3-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 133202355
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 9410281
2-(7-chloro-4-oxoquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100738649
2-(6-fluoro-4-oxoquinolin-1-yl)-N-(2-methylpropyl)acetamide
CID 100742567
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(1-oxo-2,6-naphthyridin-2-yl)acetamide
CID 176914610
2-(7-chloro-4-oxoquinolin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 100738706
1-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324084
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 42952638

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-4-oxoquinolin-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(7-chloro-4-oxoquinolin-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide (CID 100739457) is 2-(7-chloro-4-oxoquinolin-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(7-chloro-4-oxoquinolin-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(7-chloro-4-oxoquinolin-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide is C[C@H](NC(=O)Cn1ccc(=O)c2ccc(Cl)cc21)c1ccc(F)cc1.
What is the InChIKey of 2-(7-chloro-4-oxoquinolin-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is MWGQTTBQFKNQGA-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H16ClFN2O2/c1-12(13-2-5-15(21)6-3-13)22-19(25)11-23-9-8-18(24)16-7-4-14(20)10-17(16)23/h2-10,12H,11H2,1H3,(H,22,25)/t12-/m0/s1.
What are the key properties of 2-(7-chloro-4-oxoquinolin-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
2-(7-chloro-4-oxoquinolin-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 358.80 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-4-oxoquinolin-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 100739457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).