N-[1-(4-chlorophenyl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide

C20H20ClFN2O2 — CID 55971151

IUPACN-[1-(4-chlorophenyl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCCc2ccc(F)cc21)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClFN2O2/c1-13(25)23-18(14-4-7-16(21)8-5-14)12-20(26)24-10-2-3-15-6-9-17(22)11-19(15)24/h4-9,11,18H,2-3,10,12H2,1H3,(H,23,25)
InChIKeyOGRMIDUVLPMFLJ-UHFFFAOYSA-N
MW374.84 g/mol
LogP4.03
Rot. Bonds4

About N-[1-(4-chlorophenyl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide

N-[1-(4-chlorophenyl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide (PubChem CID 55971151) has the molecular formula C20H20ClFN2O2 and a molecular weight of 374.84 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
PubChem CID55971151
Molecular FormulaC20H20ClFN2O2
Molecular Weight374.84 g/mol
Exact Mass374.12
IUPAC NameN-[1-(4-chlorophenyl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCCc2ccc(F)cc21)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClFN2O2/c1-13(25)23-18(14-4-7-16(21)8-5-14)12-20(26)24-10-2-3-15-6-9-17(22)11-19(15)24/h4-9,11,18H,2-3,10,12H2,1H3,(H,23,25)
InChIKeyOGRMIDUVLPMFLJ-UHFFFAOYSA-N
XLogP4.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.84
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 52505588
N-[(1R)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 94820255
N-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 86929724
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 46817528
N-[(1R)-1-(4-methoxyphenyl)-3-oxo-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]acetamide
CID 51956415
N-[3-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 47029823
3-acetamido-3-(4-chlorophenyl)-N-(3,5-difluorophenyl)propanamide
CID 51271181
1-(6-fluoro-2,3-dihydroindol-1-yl)-3,4,4-trimethylpentan-1-one
CID 86901344
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132912
3-acetamido-3-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)propanamide
CID 51195587
N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-phenylpropyl]acetamide
CID 55589826
N-[1-(4-chlorophenyl)-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 55879539

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide (CID 55971151) is N-[1-(4-chlorophenyl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide is CC(=O)NC(CC(=O)N1CCCc2ccc(F)cc21)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide?
The InChIKey is OGRMIDUVLPMFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O2/c1-13(25)23-18(14-4-7-16(21)8-5-14)12-20(26)24-10-2-3-15-6-9-17(22)11-19(15)24/h4-9,11,18H,2-3,10,12H2,1H3,(H,23,25).
What are the key properties of N-[1-(4-chlorophenyl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide?
N-[1-(4-chlorophenyl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide has a molecular weight of 374.84 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 55971151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).