1-[(5-chloroquinolin-8-yl)amino]-3-cyclopentylpropan-2-ol

C17H21ClN2O — CID 103158392

IUPAC1-[(5-chloroquinolin-8-yl)amino]-3-cyclopentylpropan-2-ol
SMILESOC(CNc1ccc(Cl)c2cccnc12)CC1CCCC1
InChIInChI=1S/C17H21ClN2O/c18-15-7-8-16(17-14(15)6-3-9-19-17)20-11-13(21)10-12-4-1-2-5-12/h3,6-9,12-13,20-21H,1-2,4-5,10-11H2
InChIKeyAFKOMTBKXJTIRE-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.24
Rot. Bonds5

About 1-[(5-chloroquinolin-8-yl)amino]-3-cyclopentylpropan-2-ol

1-[(5-chloroquinolin-8-yl)amino]-3-cyclopentylpropan-2-ol (PubChem CID 103158392) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 1-[(5-chloroquinolin-8-yl)amino]-3-cyclopentylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-chloroquinolin-8-yl)amino]-3-cyclopentylpropan-2-ol
PubChem CID103158392
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name1-[(5-chloroquinolin-8-yl)amino]-3-cyclopentylpropan-2-ol
SMILESOC(CNc1ccc(Cl)c2cccnc12)CC1CCCC1
InChIInChI=1S/C17H21ClN2O/c18-15-7-8-16(17-14(15)6-3-9-19-17)20-11-13(21)10-12-4-1-2-5-12/h3,6-9,12-13,20-21H,1-2,4-5,10-11H2
InChIKeyAFKOMTBKXJTIRE-UHFFFAOYSA-N
XLogP4.24
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloroquinolin-8-yl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 116783900
1-cyclopentyl-3-(2,6-dichloroanilino)propan-2-ol
CID 103157934
5-chloro-N-(2,2-dimethoxyethyl)quinolin-8-amine
CID 63696724
2-[(5-chloroquinolin-8-yl)amino]-N-cyclopropylacetamide
CID 116784065
1-(5-chloroquinolin-8-yl)-3-cyclopentylurea
CID 47201915
2-[(5-chloroquinolin-8-yl)amino]acetic acid
CID 116783965
1-cyclopentyl-3-(quinolin-8-ylmethylamino)propan-2-ol
CID 103158149
(2R)-N-(5-chloroquinolin-8-yl)piperidine-2-carboxamide
CID 104913187
4-[(5-chloroquinolin-8-yl)amino]-2-methylbutan-2-ol
CID 116783853
5-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]quinolin-8-amine
CID 60927567
3-[(5-chloroquinolin-8-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 116783958
5-chloro-N-(2-phenylprop-2-enyl)quinolin-8-amine
CID 116783955

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloroquinolin-8-yl)amino]-3-cyclopentylpropan-2-ol?
The IUPAC name of 1-[(5-chloroquinolin-8-yl)amino]-3-cyclopentylpropan-2-ol (CID 103158392) is 1-[(5-chloroquinolin-8-yl)amino]-3-cyclopentylpropan-2-ol.
What is the SMILES notation for 1-[(5-chloroquinolin-8-yl)amino]-3-cyclopentylpropan-2-ol?
The canonical SMILES for 1-[(5-chloroquinolin-8-yl)amino]-3-cyclopentylpropan-2-ol is OC(CNc1ccc(Cl)c2cccnc12)CC1CCCC1.
What is the InChIKey of 1-[(5-chloroquinolin-8-yl)amino]-3-cyclopentylpropan-2-ol?
The InChIKey is AFKOMTBKXJTIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c18-15-7-8-16(17-14(15)6-3-9-19-17)20-11-13(21)10-12-4-1-2-5-12/h3,6-9,12-13,20-21H,1-2,4-5,10-11H2.
What are the key properties of 1-[(5-chloroquinolin-8-yl)amino]-3-cyclopentylpropan-2-ol?
1-[(5-chloroquinolin-8-yl)amino]-3-cyclopentylpropan-2-ol has a molecular weight of 304.82 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloroquinolin-8-yl)amino]-3-cyclopentylpropan-2-ol is sourced from PubChem (CID 103158392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).