2-[(7-chloroquinolin-4-yl)amino]-3-methoxypropan-1-ol

C13H15ClN2O2 — CID 114094467

IUPAC2-[(7-chloroquinolin-4-yl)amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C13H15ClN2O2/c1-18-8-10(7-17)16-12-4-5-15-13-6-9(14)2-3-11(12)13/h2-6,10,17H,7-8H2,1H3,(H,15,16)
InChIKeyQPCSKHCFFDOEHE-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.31
Rot. Bonds5

About 2-[(7-chloroquinolin-4-yl)amino]-3-methoxypropan-1-ol

2-[(7-chloroquinolin-4-yl)amino]-3-methoxypropan-1-ol (PubChem CID 114094467) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-[(7-chloroquinolin-4-yl)amino]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-[(7-chloroquinolin-4-yl)amino]-3-methoxypropan-1-ol
PubChem CID114094467
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name2-[(7-chloroquinolin-4-yl)amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C13H15ClN2O2/c1-18-8-10(7-17)16-12-4-5-15-13-6-9(14)2-3-11(12)13/h2-6,10,17H,7-8H2,1H3,(H,15,16)
InChIKeyQPCSKHCFFDOEHE-UHFFFAOYSA-N
XLogP2.31
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(7-chloroquinolin-4-yl)amino]-3-methoxypropan-1-ol with MolForge

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Related Compounds

(2R)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590558
(2S)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590559
(2R)-2-[(7-chloroquinolin-4-yl)amino]-5-[[(4R)-4-[(7-chloroquinolin-4-yl)amino]-5-hydroxypentyl]-methylamino]pentan-1-ol
CID 71470223
(2R)-2-[(7-chloroquinolin-4-yl)amino]-3-[2-[(7-chloroquinolin-4-yl)amino]ethyl-methylamino]propan-1-ol
CID 71470224
7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine
CID 28826141
O-[(3R)-3-[(7-chloroquinolin-4-yl)amino]butyl]hydroxylamine
CID 129361753
7-chloro-N-(4-chloro-3-methylbutan-2-yl)quinolin-4-amine
CID 113484977
7-chloro-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine
CID 115637682
7-chloro-N-(4-methoxy-2,2-dimethylbutyl)quinolin-4-amine
CID 104624105
2-[(7-chloroquinolin-4-yl)amino]-3-(1H-indol-3-yl)propan-1-ol
CID 146126635
N-[(2S)-4-bromobutan-2-yl]-7-chloroquinolin-4-amine
CID 129361750
(2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 11666461

Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloroquinolin-4-yl)amino]-3-methoxypropan-1-ol?
The IUPAC name of 2-[(7-chloroquinolin-4-yl)amino]-3-methoxypropan-1-ol (CID 114094467) is 2-[(7-chloroquinolin-4-yl)amino]-3-methoxypropan-1-ol.
What is the SMILES notation for 2-[(7-chloroquinolin-4-yl)amino]-3-methoxypropan-1-ol?
The canonical SMILES for 2-[(7-chloroquinolin-4-yl)amino]-3-methoxypropan-1-ol is COCC(CO)Nc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 2-[(7-chloroquinolin-4-yl)amino]-3-methoxypropan-1-ol?
The InChIKey is QPCSKHCFFDOEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-18-8-10(7-17)16-12-4-5-15-13-6-9(14)2-3-11(12)13/h2-6,10,17H,7-8H2,1H3,(H,15,16).
What are the key properties of 2-[(7-chloroquinolin-4-yl)amino]-3-methoxypropan-1-ol?
2-[(7-chloroquinolin-4-yl)amino]-3-methoxypropan-1-ol has a molecular weight of 266.73 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloroquinolin-4-yl)amino]-3-methoxypropan-1-ol is sourced from PubChem (CID 114094467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).