(2S)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol

C13H15ClN2O — CID 44590559

IUPAC(2S)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
SMILESCC[C@@H](CO)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C13H15ClN2O/c1-2-10(8-17)16-12-5-6-15-13-7-9(14)3-4-11(12)13/h3-7,10,17H,2,8H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyUFKGWJPAZPGWKN-JTQLQIEISA-N
MW250.73 g/mol
LogP3.07
Rot. Bonds4

About (2S)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol

(2S)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol (PubChem CID 44590559) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is (2S)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
PubChem CID44590559
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name(2S)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
SMILESCC[C@@H](CO)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C13H15ClN2O/c1-2-10(8-17)16-12-5-6-15-13-7-9(14)3-4-11(12)13/h3-7,10,17H,2,8H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyUFKGWJPAZPGWKN-JTQLQIEISA-N
XLogP3.07
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

(2R)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590558
2-[(7-chloroquinolin-4-yl)amino]-3-methoxypropan-1-ol
CID 114094467
(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
2-[(7-chloroquinazolin-4-yl)amino]butan-1-ol
CID 86910047
7-chloro-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine
CID 115637682
7-chloro-N-(4-chloro-3-methylbutan-2-yl)quinolin-4-amine
CID 113484977
(2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 11666461
7-chloro-N-(1-thiophen-2-ylpropyl)quinolin-4-amine
CID 63540112
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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol?
The IUPAC name of (2S)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol (CID 44590559) is (2S)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol.
What is the SMILES notation for (2S)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol?
The canonical SMILES for (2S)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol is CC[C@@H](CO)Nc1ccnc2cc(Cl)ccc12.
What is the InChIKey of (2S)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol?
The InChIKey is UFKGWJPAZPGWKN-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-2-10(8-17)16-12-5-6-15-13-7-9(14)3-4-11(12)13/h3-7,10,17H,2,8H2,1H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol?
(2S)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol has a molecular weight of 250.73 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 (2S)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 44590559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).