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

C15H15ClN4O — CID 116783900

IUPAC1-[(5-chloroquinolin-8-yl)amino]-3-pyrazol-1-ylpropan-2-ol
SMILESOC(CNc1ccc(Cl)c2cccnc12)Cn1cccn1
InChIInChI=1S/C15H15ClN4O/c16-13-4-5-14(15-12(13)3-1-6-17-15)18-9-11(21)10-20-8-2-7-19-20/h1-8,11,18,21H,9-10H2
InChIKeyFNRGDOLPJHVNSW-UHFFFAOYSA-N
MW302.76 g/mol
LogP2.56
Rot. Bonds5

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

1-[(5-chloroquinolin-8-yl)amino]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 116783900) has the molecular formula C15H15ClN4O and a molecular weight of 302.76 g/mol. Its IUPAC name is 1-[(5-chloroquinolin-8-yl)amino]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-chloroquinolin-8-yl)amino]-3-pyrazol-1-ylpropan-2-ol
PubChem CID116783900
Molecular FormulaC15H15ClN4O
Molecular Weight302.76 g/mol
Exact Mass302.09
IUPAC Name1-[(5-chloroquinolin-8-yl)amino]-3-pyrazol-1-ylpropan-2-ol
SMILESOC(CNc1ccc(Cl)c2cccnc12)Cn1cccn1
InChIInChI=1S/C15H15ClN4O/c16-13-4-5-14(15-12(13)3-1-6-17-15)18-9-11(21)10-20-8-2-7-19-20/h1-8,11,18,21H,9-10H2
InChIKeyFNRGDOLPJHVNSW-UHFFFAOYSA-N
XLogP2.56
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromo-2-chloroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 55132052
1-(2-chloro-4-methylanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60899821
1-(2-chloro-4-fluoroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60899299
1-[(5-chloroquinolin-8-yl)amino]-3-cyclopentylpropan-2-ol
CID 103158392
1-(3,4-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60897345
5-chloro-N-(2,2-dimethoxyethyl)quinolin-8-amine
CID 63696724
1-[2-chloro-6-(trifluoromethyl)anilino]-3-pyrazol-1-ylpropan-2-ol
CID 60899820
2-[(5-chloroquinolin-8-yl)amino]acetic acid
CID 116783965
1-(3,5-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60896952
5-chloro-N-[(1-ethylpyrazol-4-yl)methyl]quinolin-8-amine
CID 116783996
5-chloro-N-(2-phenylprop-2-enyl)quinolin-8-amine
CID 116783955
3-[(5-chloroquinolin-8-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 116783958

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloroquinolin-8-yl)amino]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-[(5-chloroquinolin-8-yl)amino]-3-pyrazol-1-ylpropan-2-ol (CID 116783900) is 1-[(5-chloroquinolin-8-yl)amino]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(5-chloroquinolin-8-yl)amino]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-[(5-chloroquinolin-8-yl)amino]-3-pyrazol-1-ylpropan-2-ol is OC(CNc1ccc(Cl)c2cccnc12)Cn1cccn1.
What is the InChIKey of 1-[(5-chloroquinolin-8-yl)amino]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is FNRGDOLPJHVNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c16-13-4-5-14(15-12(13)3-1-6-17-15)18-9-11(21)10-20-8-2-7-19-20/h1-8,11,18,21H,9-10H2.
What are the key properties of 1-[(5-chloroquinolin-8-yl)amino]-3-pyrazol-1-ylpropan-2-ol?
1-[(5-chloroquinolin-8-yl)amino]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 302.76 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloroquinolin-8-yl)amino]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 116783900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).