N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)cyclopentanecarboxamide

C17H22N2O2 — CID 7527158

IUPACN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)cyclopentanecarboxamide
SMILESCC(=O)N1CCCc2ccc(NC(=O)C3CCCC3)cc21
InChIInChI=1S/C17H22N2O2/c1-12(20)19-10-4-7-13-8-9-15(11-16(13)19)18-17(21)14-5-2-3-6-14/h8-9,11,14H,2-7,10H2,1H3,(H,18,21)
InChIKeyMCXYNWWPBQVHSY-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.11
Rot. Bonds2

About N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)cyclopentanecarboxamide

N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)cyclopentanecarboxamide (PubChem CID 7527158) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)cyclopentanecarboxamide
PubChem CID7527158
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)cyclopentanecarboxamide
SMILESCC(=O)N1CCCc2ccc(NC(=O)C3CCCC3)cc21
InChIInChI=1S/C17H22N2O2/c1-12(20)19-10-4-7-13-8-9-15(11-16(13)19)18-17(21)14-5-2-3-6-14/h8-9,11,14H,2-7,10H2,1H3,(H,18,21)
InChIKeyMCXYNWWPBQVHSY-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)cyclopentanecarboxamide?
The IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)cyclopentanecarboxamide (CID 7527158) is N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)cyclopentanecarboxamide is CC(=O)N1CCCc2ccc(NC(=O)C3CCCC3)cc21.
What is the InChIKey of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)cyclopentanecarboxamide?
The InChIKey is MCXYNWWPBQVHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(20)19-10-4-7-13-8-9-15(11-16(13)19)18-17(21)14-5-2-3-6-14/h8-9,11,14H,2-7,10H2,1H3,(H,18,21).
What are the key properties of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)cyclopentanecarboxamide?
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)cyclopentanecarboxamide has a molecular weight of 286.38 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)cyclopentanecarboxamide is sourced from PubChem (CID 7527158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).