3-(5-chloro-8-methoxyquinolin-2-yl)-2-methylpropan-1-amine

C14H17ClN2O — CID 82246747

IUPAC3-(5-chloro-8-methoxyquinolin-2-yl)-2-methylpropan-1-amine
SMILESCOc1ccc(Cl)c2ccc(CC(C)CN)nc12
InChIInChI=1S/C14H17ClN2O/c1-9(8-16)7-10-3-4-11-12(15)5-6-13(18-2)14(11)17-10/h3-6,9H,7-8,16H2,1-2H3
InChIKeyKRSIXBAYMFPMFR-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.03
Rot. Bonds4

About 3-(5-chloro-8-methoxyquinolin-2-yl)-2-methylpropan-1-amine

3-(5-chloro-8-methoxyquinolin-2-yl)-2-methylpropan-1-amine (PubChem CID 82246747) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 3-(5-chloro-8-methoxyquinolin-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-8-methoxyquinolin-2-yl)-2-methylpropan-1-amine
PubChem CID82246747
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name3-(5-chloro-8-methoxyquinolin-2-yl)-2-methylpropan-1-amine
SMILESCOc1ccc(Cl)c2ccc(CC(C)CN)nc12
InChIInChI=1S/C14H17ClN2O/c1-9(8-16)7-10-3-4-11-12(15)5-6-13(18-2)14(11)17-10/h3-6,9H,7-8,16H2,1-2H3
InChIKeyKRSIXBAYMFPMFR-UHFFFAOYSA-N
XLogP3.03
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5,8-dimethoxyquinolin-2-yl)methanamine
CID 82241956
5-chloro-8-methoxyquinoline-2-carbothioamide
CID 82245102
3-(5,7-dichloroquinolin-2-yl)-2-methylpropan-1-amine
CID 82247293
3-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropan-1-amine
CID 83880440
(8-fluoro-5-methoxyquinolin-2-yl)methanamine
CID 102941402
3-(4-methoxy-3-methylphenyl)-2-methylpropan-1-amine
CID 83818376
3-(5,6-dimethoxyisoquinolin-1-yl)-2-methylpropan-1-amine
CID 82576762
3-(7-methoxy-4-methylquinolin-2-yl)-2-methylpropan-1-amine
CID 82576819
methyl 2-[5-chloro-2-[(4-chlorophenyl)methyl]quinolin-8-yl]oxyacetate
CID 68863621
2-(5,8-dimethoxy-3-methylquinolin-2-yl)propan-1-amine
CID 84638168
3-(8-methoxyisoquinolin-5-yl)-2-methylpropan-1-amine
CID 82576731
2,4-dichloro-7-methoxy-8-methylquinoline
CID 53400954

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-8-methoxyquinolin-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(5-chloro-8-methoxyquinolin-2-yl)-2-methylpropan-1-amine (CID 82246747) is 3-(5-chloro-8-methoxyquinolin-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(5-chloro-8-methoxyquinolin-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(5-chloro-8-methoxyquinolin-2-yl)-2-methylpropan-1-amine is COc1ccc(Cl)c2ccc(CC(C)CN)nc12.
What is the InChIKey of 3-(5-chloro-8-methoxyquinolin-2-yl)-2-methylpropan-1-amine?
The InChIKey is KRSIXBAYMFPMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-9(8-16)7-10-3-4-11-12(15)5-6-13(18-2)14(11)17-10/h3-6,9H,7-8,16H2,1-2H3.
What are the key properties of 3-(5-chloro-8-methoxyquinolin-2-yl)-2-methylpropan-1-amine?
3-(5-chloro-8-methoxyquinolin-2-yl)-2-methylpropan-1-amine has a molecular weight of 264.76 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-8-methoxyquinolin-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 82246747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).