2-(7-chloro-6-methoxyquinolin-2-yl)-2-methylpropan-1-amine

C14H17ClN2O — CID 84639694

IUPAC2-(7-chloro-6-methoxyquinolin-2-yl)-2-methylpropan-1-amine
SMILESCOc1cc2ccc(C(C)(C)CN)nc2cc1Cl
InChIInChI=1S/C14H17ClN2O/c1-14(2,8-16)13-5-4-9-6-12(18-3)10(15)7-11(9)17-13/h4-7H,8,16H2,1-3H3
InChIKeyYOZGAYJDMOHVPY-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.13
Rot. Bonds3

About 2-(7-chloro-6-methoxyquinolin-2-yl)-2-methylpropan-1-amine

2-(7-chloro-6-methoxyquinolin-2-yl)-2-methylpropan-1-amine (PubChem CID 84639694) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-(7-chloro-6-methoxyquinolin-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(7-chloro-6-methoxyquinolin-2-yl)-2-methylpropan-1-amine
PubChem CID84639694
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name2-(7-chloro-6-methoxyquinolin-2-yl)-2-methylpropan-1-amine
SMILESCOc1cc2ccc(C(C)(C)CN)nc2cc1Cl
InChIInChI=1S/C14H17ClN2O/c1-14(2,8-16)13-5-4-9-6-12(18-3)10(15)7-11(9)17-13/h4-7H,8,16H2,1-3H3
InChIKeyYOZGAYJDMOHVPY-UHFFFAOYSA-N
XLogP3.13
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-6-methoxyquinolin-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(7-chloro-6-methoxyquinolin-2-yl)-2-methylpropan-1-amine (CID 84639694) is 2-(7-chloro-6-methoxyquinolin-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(7-chloro-6-methoxyquinolin-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(7-chloro-6-methoxyquinolin-2-yl)-2-methylpropan-1-amine is COc1cc2ccc(C(C)(C)CN)nc2cc1Cl.
What is the InChIKey of 2-(7-chloro-6-methoxyquinolin-2-yl)-2-methylpropan-1-amine?
The InChIKey is YOZGAYJDMOHVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-14(2,8-16)13-5-4-9-6-12(18-3)10(15)7-11(9)17-13/h4-7H,8,16H2,1-3H3.
What are the key properties of 2-(7-chloro-6-methoxyquinolin-2-yl)-2-methylpropan-1-amine?
2-(7-chloro-6-methoxyquinolin-2-yl)-2-methylpropan-1-amine has a molecular weight of 264.76 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-6-methoxyquinolin-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 84639694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).