N-cyclopentyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide

C16H22N2O2 — CID 38198162

IUPACN-cyclopentyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCOc1ccc2c(c1)CCCN2C(=O)NC1CCCC1
InChIInChI=1S/C16H22N2O2/c1-20-14-8-9-15-12(11-14)5-4-10-18(15)16(19)17-13-6-2-3-7-13/h8-9,11,13H,2-7,10H2,1H3,(H,17,19)
InChIKeyCOCFPXOCKULRBQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.10
Rot. Bonds2

About N-cyclopentyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide

N-cyclopentyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 38198162) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-cyclopentyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID38198162
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-cyclopentyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCOc1ccc2c(c1)CCCN2C(=O)NC1CCCC1
InChIInChI=1S/C16H22N2O2/c1-20-14-8-9-15-12(11-14)5-4-10-18(15)16(19)17-13-6-2-3-7-13/h8-9,11,13H,2-7,10H2,1H3,(H,17,19)
InChIKeyCOCFPXOCKULRBQ-UHFFFAOYSA-N
XLogP3.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-cyclopentyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide (CID 38198162) is N-cyclopentyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-cyclopentyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide is COc1ccc2c(c1)CCCN2C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is COCFPXOCKULRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-20-14-8-9-15-12(11-14)5-4-10-18(15)16(19)17-13-6-2-3-7-13/h8-9,11,13H,2-7,10H2,1H3,(H,17,19).
What are the key properties of N-cyclopentyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide?
N-cyclopentyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 38198162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).