N-(cyclopentylcarbamoyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide

C17H21F2N3O2 — CID 43065906

IUPACN-(cyclopentylcarbamoyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESO=C(CN1CCCc2cc(F)cc(F)c21)NC(=O)NC1CCCC1
InChIInChI=1S/C17H21F2N3O2/c18-12-8-11-4-3-7-22(16(11)14(19)9-12)10-15(23)21-17(24)20-13-5-1-2-6-13/h8-9,13H,1-7,10H2,(H2,20,21,23,24)
InChIKeySVIVLRBUQQEZMS-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.49
Rot. Bonds3

About N-(cyclopentylcarbamoyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide

N-(cyclopentylcarbamoyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide (PubChem CID 43065906) has the molecular formula C17H21F2N3O2 and a molecular weight of 337.37 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
PubChem CID43065906
Molecular FormulaC17H21F2N3O2
Molecular Weight337.37 g/mol
Exact Mass337.16
IUPAC NameN-(cyclopentylcarbamoyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESO=C(CN1CCCc2cc(F)cc(F)c21)NC(=O)NC1CCCC1
InChIInChI=1S/C17H21F2N3O2/c18-12-8-11-4-3-7-22(16(11)14(19)9-12)10-15(23)21-17(24)20-13-5-1-2-6-13/h8-9,13H,1-7,10H2,(H2,20,21,23,24)
InChIKeySVIVLRBUQQEZMS-UHFFFAOYSA-N
XLogP2.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetylpiperidin-4-yl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 55627158
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 34008980
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 43065879
N-(2,5-diethoxyphenyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 34010060
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 34008890
N-(cyclopentylcarbamoyl)-2-(2,3-dihydroindol-1-yl)acetamide
CID 51170796
2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 37383582
N-(cyclopentylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8896823
2-(azepan-1-yl)-N-(cyclopentylcarbamoyl)acetamide
CID 8895713
N-(2-chloro-5-methylsulfonylphenyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 34009525
3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N,N-diethylbenzamide
CID 34009774
methyl 5-[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 43065915

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide (CID 43065906) is N-(cyclopentylcarbamoyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide is O=C(CN1CCCc2cc(F)cc(F)c21)NC(=O)NC1CCCC1.
What is the InChIKey of N-(cyclopentylcarbamoyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The InChIKey is SVIVLRBUQQEZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O2/c18-12-8-11-4-3-7-22(16(11)14(19)9-12)10-15(23)21-17(24)20-13-5-1-2-6-13/h8-9,13H,1-7,10H2,(H2,20,21,23,24).
What are the key properties of N-(cyclopentylcarbamoyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide?
N-(cyclopentylcarbamoyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide has a molecular weight of 337.37 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide is sourced from PubChem (CID 43065906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).