2-[(7-chloroquinolin-4-yl)amino]-1-cyclopropylethanol

C14H15ClN2O — CID 63296139

IUPAC2-[(7-chloroquinolin-4-yl)amino]-1-cyclopropylethanol
SMILESOC(CNc1ccnc2cc(Cl)ccc12)C1CC1
InChIInChI=1S/C14H15ClN2O/c15-10-3-4-11-12(5-6-16-13(11)7-10)17-8-14(18)9-1-2-9/h3-7,9,14,18H,1-2,8H2,(H,16,17)
InChIKeyHPPOSLTUVRNCST-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.07
Rot. Bonds4

About 2-[(7-chloroquinolin-4-yl)amino]-1-cyclopropylethanol

2-[(7-chloroquinolin-4-yl)amino]-1-cyclopropylethanol (PubChem CID 63296139) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-[(7-chloroquinolin-4-yl)amino]-1-cyclopropylethanol.

Molecular Properties

Compound Name2-[(7-chloroquinolin-4-yl)amino]-1-cyclopropylethanol
PubChem CID63296139
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name2-[(7-chloroquinolin-4-yl)amino]-1-cyclopropylethanol
SMILESOC(CNc1ccnc2cc(Cl)ccc12)C1CC1
InChIInChI=1S/C14H15ClN2O/c15-10-3-4-11-12(5-6-16-13(11)7-10)17-8-14(18)9-1-2-9/h3-7,9,14,18H,1-2,8H2,(H,16,17)
InChIKeyHPPOSLTUVRNCST-UHFFFAOYSA-N
XLogP3.07
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(7-aminoquinolin-4-yl)amino]-1-cyclopropylethanol
CID 103001162
2-[(7-chloroquinolin-4-yl)amino]-1-(2-fluorophenyl)ethanol
CID 133351580
2-[(7-chloroquinazolin-4-yl)amino]-1-cyclopentylethanol
CID 133307011
2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylacetic acid
CID 55108001
7-chloro-N-[[3-[[(7-chloroquinolin-4-yl)amino]methyl]cyclohexyl]methyl]quinolin-4-amine
CID 54463562
2-[[(7-chloroquinolin-4-yl)amino]methyl]butanoic acid
CID 65223950
(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
CID 18933493
1-N-(7-chloroquinolin-4-yl)-4,4-dimethylpentane-1,2-diamine
CID 107159058
N'-(7-chloroquinolin-4-yl)-1-phenylethane-1,2-diamine
CID 63120842
3-[[(7-chloroquinolin-4-yl)amino]methyl]hexan-1-ol
CID 103705122
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
2-[[(7-chloroquinolin-4-yl)amino]methyl]pentanoic acid
CID 65224478

Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloroquinolin-4-yl)amino]-1-cyclopropylethanol?
The IUPAC name of 2-[(7-chloroquinolin-4-yl)amino]-1-cyclopropylethanol (CID 63296139) is 2-[(7-chloroquinolin-4-yl)amino]-1-cyclopropylethanol.
What is the SMILES notation for 2-[(7-chloroquinolin-4-yl)amino]-1-cyclopropylethanol?
The canonical SMILES for 2-[(7-chloroquinolin-4-yl)amino]-1-cyclopropylethanol is OC(CNc1ccnc2cc(Cl)ccc12)C1CC1.
What is the InChIKey of 2-[(7-chloroquinolin-4-yl)amino]-1-cyclopropylethanol?
The InChIKey is HPPOSLTUVRNCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-10-3-4-11-12(5-6-16-13(11)7-10)17-8-14(18)9-1-2-9/h3-7,9,14,18H,1-2,8H2,(H,16,17).
What are the key properties of 2-[(7-chloroquinolin-4-yl)amino]-1-cyclopropylethanol?
2-[(7-chloroquinolin-4-yl)amino]-1-cyclopropylethanol has a molecular weight of 262.74 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloroquinolin-4-yl)amino]-1-cyclopropylethanol is sourced from PubChem (CID 63296139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).