3-[[(7-chloroquinolin-4-yl)amino]methyl]pentan-3-ol

C15H19ClN2O — CID 62060056

IUPAC3-[[(7-chloroquinolin-4-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H19ClN2O/c1-3-15(19,4-2)10-18-13-7-8-17-14-9-11(16)5-6-12(13)14/h5-9,19H,3-4,10H2,1-2H3,(H,17,18)
InChIKeyQUTHTLKOLILZDP-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.85
Rot. Bonds5

About 3-[[(7-chloroquinolin-4-yl)amino]methyl]pentan-3-ol

3-[[(7-chloroquinolin-4-yl)amino]methyl]pentan-3-ol (PubChem CID 62060056) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 3-[[(7-chloroquinolin-4-yl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(7-chloroquinolin-4-yl)amino]methyl]pentan-3-ol
PubChem CID62060056
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name3-[[(7-chloroquinolin-4-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H19ClN2O/c1-3-15(19,4-2)10-18-13-7-8-17-14-9-11(16)5-6-12(13)14/h5-9,19H,3-4,10H2,1-2H3,(H,17,18)
InChIKeyQUTHTLKOLILZDP-UHFFFAOYSA-N
XLogP3.85
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[(7-chloroquinolin-4-yl)amino]methyl]pentan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(7-chloroquinolin-4-yl)amino]methyl]-2-ethylbutanoic acid
CID 115430042
3-[(7-chloroquinolin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 113307879
N-(7-chloroquinolin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 11644996
1-[(7-chloroquinolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 133353147
7-chloro-N-(4-methoxy-2,2-dimethylbutyl)quinolin-4-amine
CID 104624105
N-butyl-7-chloroquinolin-4-amine
CID 10037042
N-[1-[(7-chloroquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859181
N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine
CID 44543907
(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
CID 18933493
1-N-(7-chloroquinolin-4-yl)-2-N-[(3,5-dichlorophenyl)methyl]-2-methylpropane-1,2-diamine;dihydrochloride
CID 70204147
2-N-benzyl-1-N-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine
CID 11681637
7-chloro-N-(1-chloro-2-methylpropan-2-yl)quinolin-4-amine
CID 65027745

Frequently Asked Questions

What is the IUPAC name of 3-[[(7-chloroquinolin-4-yl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(7-chloroquinolin-4-yl)amino]methyl]pentan-3-ol (CID 62060056) is 3-[[(7-chloroquinolin-4-yl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(7-chloroquinolin-4-yl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(7-chloroquinolin-4-yl)amino]methyl]pentan-3-ol is CCC(O)(CC)CNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 3-[[(7-chloroquinolin-4-yl)amino]methyl]pentan-3-ol?
The InChIKey is QUTHTLKOLILZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-3-15(19,4-2)10-18-13-7-8-17-14-9-11(16)5-6-12(13)14/h5-9,19H,3-4,10H2,1-2H3,(H,17,18).
What are the key properties of 3-[[(7-chloroquinolin-4-yl)amino]methyl]pentan-3-ol?
3-[[(7-chloroquinolin-4-yl)amino]methyl]pentan-3-ol has a molecular weight of 278.78 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(7-chloroquinolin-4-yl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 62060056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).