2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)cyclopentane-1-carboxamide

C16H22N2O — CID 107180778

IUPAC2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)cyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)Nc1ccc2c(c1)NCCC2
InChIInChI=1S/C16H22N2O/c1-11-4-2-6-14(11)16(19)18-13-8-7-12-5-3-9-17-15(12)10-13/h7-8,10-11,14,17H,2-6,9H2,1H3,(H,18,19)
InChIKeyPYDHOGVJJGTCSH-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.42
Rot. Bonds2

About 2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)cyclopentane-1-carboxamide

2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)cyclopentane-1-carboxamide (PubChem CID 107180778) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)cyclopentane-1-carboxamide
PubChem CID107180778
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)cyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)Nc1ccc2c(c1)NCCC2
InChIInChI=1S/C16H22N2O/c1-11-4-2-6-14(11)16(19)18-13-8-7-12-5-3-9-17-15(12)10-13/h7-8,10-11,14,17H,2-6,9H2,1H3,(H,18,19)
InChIKeyPYDHOGVJJGTCSH-UHFFFAOYSA-N
XLogP3.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)cyclopentane-1-carboxamide?
The IUPAC name of 2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)cyclopentane-1-carboxamide (CID 107180778) is 2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)cyclopentane-1-carboxamide is CC1CCCC1C(=O)Nc1ccc2c(c1)NCCC2.
What is the InChIKey of 2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)cyclopentane-1-carboxamide?
The InChIKey is PYDHOGVJJGTCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-4-2-6-14(11)16(19)18-13-8-7-12-5-3-9-17-15(12)10-13/h7-8,10-11,14,17H,2-6,9H2,1H3,(H,18,19).
What are the key properties of 2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)cyclopentane-1-carboxamide?
2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)cyclopentane-1-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 107180778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).