6-(2-cyclopropylazepan-2-yl)quinoline

C18H22N2 — CID 81229509

IUPAC6-(2-cyclopropylazepan-2-yl)quinoline
SMILESc1cnc2ccc(C3(C4CC4)CCCCCN3)cc2c1
InChIInChI=1S/C18H22N2/c1-2-10-18(15-6-7-15,20-12-3-1)16-8-9-17-14(13-16)5-4-11-19-17/h4-5,8-9,11,13,15,20H,1-3,6-7,10,12H2
InChIKeyOHZVXXADTMUTQF-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.00
Rot. Bonds2

About 6-(2-cyclopropylazepan-2-yl)quinoline

6-(2-cyclopropylazepan-2-yl)quinoline (PubChem CID 81229509) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 6-(2-cyclopropylazepan-2-yl)quinoline.

Molecular Properties

Compound Name6-(2-cyclopropylazepan-2-yl)quinoline
PubChem CID81229509
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name6-(2-cyclopropylazepan-2-yl)quinoline
SMILESc1cnc2ccc(C3(C4CC4)CCCCCN3)cc2c1
InChIInChI=1S/C18H22N2/c1-2-10-18(15-6-7-15,20-12-3-1)16-8-9-17-14(13-16)5-4-11-19-17/h4-5,8-9,11,13,15,20H,1-3,6-7,10,12H2
InChIKeyOHZVXXADTMUTQF-UHFFFAOYSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-cyclopropylazepan-2-yl)-2-methylquinoline
CID 81229508
6-(2-cyclopropylpyrrolidin-2-yl)-2-methylquinoline
CID 81231708
2-cyclopropyl-2-(3,4-dichlorophenyl)azepane
CID 79116469
2-cyclopropyl-2-(3,4-dimethylphenyl)azepane
CID 79119285
7-(2-methylazepan-2-yl)quinoline
CID 81231212
3-quinolin-6-ylpiperidin-3-ol
CID 81216403
2-cyclopropyl-2-(4-ethylphenyl)azepane
CID 79119281
7-quinolin-6-ylbicyclo[4.1.0]heptan-7-amine
CID 79331916
6-[(2R)-azepan-2-yl]quinoline
CID 40638182
2-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
CID 66465592
4-(methylamino)-1-quinolin-6-ylcyclohexan-1-ol
CID 81221437
6-(3-bromo-1-methylcyclopentyl)quinoline
CID 116540828

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropylazepan-2-yl)quinoline?
The IUPAC name of 6-(2-cyclopropylazepan-2-yl)quinoline (CID 81229509) is 6-(2-cyclopropylazepan-2-yl)quinoline.
What is the SMILES notation for 6-(2-cyclopropylazepan-2-yl)quinoline?
The canonical SMILES for 6-(2-cyclopropylazepan-2-yl)quinoline is c1cnc2ccc(C3(C4CC4)CCCCCN3)cc2c1.
What is the InChIKey of 6-(2-cyclopropylazepan-2-yl)quinoline?
The InChIKey is OHZVXXADTMUTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-2-10-18(15-6-7-15,20-12-3-1)16-8-9-17-14(13-16)5-4-11-19-17/h4-5,8-9,11,13,15,20H,1-3,6-7,10,12H2.
What are the key properties of 6-(2-cyclopropylazepan-2-yl)quinoline?
6-(2-cyclopropylazepan-2-yl)quinoline has a molecular weight of 266.39 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropylazepan-2-yl)quinoline is sourced from PubChem (CID 81229509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).