2-(4-cyclopentyl-1,4-diazepan-1-yl)quinoline

C19H25N3 — CID 70742061

IUPAC2-(4-cyclopentyl-1,4-diazepan-1-yl)quinoline
SMILESc1ccc2nc(N3CCCN(C4CCCC4)CC3)ccc2c1
InChIInChI=1S/C19H25N3/c1-4-9-18-16(6-1)10-11-19(20-18)22-13-5-12-21(14-15-22)17-7-2-3-8-17/h1,4,6,9-11,17H,2-3,5,7-8,12-15H2
InChIKeyRVXADWODFTXVJZ-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.69
Rot. Bonds2

About 2-(4-cyclopentyl-1,4-diazepan-1-yl)quinoline

2-(4-cyclopentyl-1,4-diazepan-1-yl)quinoline (PubChem CID 70742061) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-(4-cyclopentyl-1,4-diazepan-1-yl)quinoline.

Molecular Properties

Compound Name2-(4-cyclopentyl-1,4-diazepan-1-yl)quinoline
PubChem CID70742061
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name2-(4-cyclopentyl-1,4-diazepan-1-yl)quinoline
SMILESc1ccc2nc(N3CCCN(C4CCCC4)CC3)ccc2c1
InChIInChI=1S/C19H25N3/c1-4-9-18-16(6-1)10-11-19(20-18)22-13-5-12-21(14-15-22)17-7-2-3-8-17/h1,4,6,9-11,17H,2-3,5,7-8,12-15H2
InChIKeyRVXADWODFTXVJZ-UHFFFAOYSA-N
XLogP3.69
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-pyrrolidin-1-ylazepan-1-yl)quinoline
CID 71192818
2-[3-(azepan-1-yl)piperidin-1-yl]quinoline
CID 133454492
2-[(4R)-4-(3-methylidenepyrrolidin-1-yl)azepan-1-yl]quinoline
CID 89357718
1-cyclopentyl-4-(2-methylpyrimidin-4-yl)-1,4-diazepane
CID 154742612
pyrrolidin-1-yl-[1-(1-quinolin-2-ylpiperidin-4-yl)piperidin-3-yl]methanone
CID 56868951
2-(4-quinolin-2-yl-1,4-diazepan-1-yl)ethanol
CID 63309594
2-[4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexyl]piperazin-1-yl]quinoline
CID 70208063
2-(4-cyclopropylsulfonylpiperazin-1-yl)quinoline
CID 108782981
6-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine
CID 141174943
cyclobutyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 171691592
2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]quinoline
CID 133396296
2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
CID 7033665

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentyl-1,4-diazepan-1-yl)quinoline?
The IUPAC name of 2-(4-cyclopentyl-1,4-diazepan-1-yl)quinoline (CID 70742061) is 2-(4-cyclopentyl-1,4-diazepan-1-yl)quinoline.
What is the SMILES notation for 2-(4-cyclopentyl-1,4-diazepan-1-yl)quinoline?
The canonical SMILES for 2-(4-cyclopentyl-1,4-diazepan-1-yl)quinoline is c1ccc2nc(N3CCCN(C4CCCC4)CC3)ccc2c1.
What is the InChIKey of 2-(4-cyclopentyl-1,4-diazepan-1-yl)quinoline?
The InChIKey is RVXADWODFTXVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-4-9-18-16(6-1)10-11-19(20-18)22-13-5-12-21(14-15-22)17-7-2-3-8-17/h1,4,6,9-11,17H,2-3,5,7-8,12-15H2.
What are the key properties of 2-(4-cyclopentyl-1,4-diazepan-1-yl)quinoline?
2-(4-cyclopentyl-1,4-diazepan-1-yl)quinoline has a molecular weight of 295.43 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentyl-1,4-diazepan-1-yl)quinoline is sourced from PubChem (CID 70742061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).