1-[(7-chloroquinolin-4-yl)-methylamino]propan-2-ol

C13H15ClN2O — CID 55061126

IUPAC1-[(7-chloroquinolin-4-yl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C13H15ClN2O/c1-9(17)8-16(2)13-5-6-15-12-7-10(14)3-4-11(12)13/h3-7,9,17H,8H2,1-2H3
InChIKeyUQBVJCYCWOWIES-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.71
Rot. Bonds3

About 1-[(7-chloroquinolin-4-yl)-methylamino]propan-2-ol

1-[(7-chloroquinolin-4-yl)-methylamino]propan-2-ol (PubChem CID 55061126) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 1-[(7-chloroquinolin-4-yl)-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(7-chloroquinolin-4-yl)-methylamino]propan-2-ol
PubChem CID55061126
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name1-[(7-chloroquinolin-4-yl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C13H15ClN2O/c1-9(17)8-16(2)13-5-6-15-12-7-10(14)3-4-11(12)13/h3-7,9,17H,8H2,1-2H3
InChIKeyUQBVJCYCWOWIES-UHFFFAOYSA-N
XLogP2.71
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-N-ethyl-N-methylquinolin-4-amine
CID 123939218
3-[(7-chloroquinolin-4-yl)-methylamino]-2-methylpropanimidamide
CID 54990454
2-[(7-chloroquinolin-4-yl)-methylamino]ethanol
CID 60631611
5-[(7-chloroquinolin-4-yl)-methylamino]pentan-1-ol
CID 107203509
7-chloro-N-methyl-N-pentan-2-ylquinolin-4-amine
CID 175101237
7-chloro-N-[2-(2-chloroethoxy)ethyl]-N-methylquinolin-4-amine
CID 114242626
N'-(7-chloroquinolin-4-yl)-N'-methyl-N-propylethane-1,2-diamine
CID 55090859
N'-(7-chloroquinolin-4-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 60869676
7-chloro-N-methyl-N-(piperidin-4-ylmethyl)quinolin-4-amine
CID 79719664
2-[butan-2-yl-(7-chloroquinolin-4-yl)amino]acetic acid
CID 60840202
N-(3-bromopropyl)-7-chloro-N-propan-2-ylquinolin-4-amine
CID 80674237
7-chloro-N-methyl-N-(piperidin-2-ylmethyl)quinolin-4-amine
CID 106642173

Frequently Asked Questions

What is the IUPAC name of 1-[(7-chloroquinolin-4-yl)-methylamino]propan-2-ol?
The IUPAC name of 1-[(7-chloroquinolin-4-yl)-methylamino]propan-2-ol (CID 55061126) is 1-[(7-chloroquinolin-4-yl)-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(7-chloroquinolin-4-yl)-methylamino]propan-2-ol?
The canonical SMILES for 1-[(7-chloroquinolin-4-yl)-methylamino]propan-2-ol is CC(O)CN(C)c1ccnc2cc(Cl)ccc12.
What is the InChIKey of 1-[(7-chloroquinolin-4-yl)-methylamino]propan-2-ol?
The InChIKey is UQBVJCYCWOWIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-9(17)8-16(2)13-5-6-15-12-7-10(14)3-4-11(12)13/h3-7,9,17H,8H2,1-2H3.
What are the key properties of 1-[(7-chloroquinolin-4-yl)-methylamino]propan-2-ol?
1-[(7-chloroquinolin-4-yl)-methylamino]propan-2-ol has a molecular weight of 250.73 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-chloroquinolin-4-yl)-methylamino]propan-2-ol is sourced from PubChem (CID 55061126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).