6-chloro-N-ethyl-7-methoxy-2-(2-methylpropyl)quinolin-4-amine

C16H21ClN2O — CID 107623093

IUPAC6-chloro-N-ethyl-7-methoxy-2-(2-methylpropyl)quinolin-4-amine
SMILESCCNc1cc(CC(C)C)nc2cc(OC)c(Cl)cc12
InChIInChI=1S/C16H21ClN2O/c1-5-18-14-7-11(6-10(2)3)19-15-9-16(20-4)13(17)8-12(14)15/h7-10H,5-6H2,1-4H3,(H,18,19)
InChIKeyLYFLJMYCOGSOFG-UHFFFAOYSA-N
MW292.81 g/mol
LogP4.53
Rot. Bonds5

About 6-chloro-N-ethyl-7-methoxy-2-(2-methylpropyl)quinolin-4-amine

6-chloro-N-ethyl-7-methoxy-2-(2-methylpropyl)quinolin-4-amine (PubChem CID 107623093) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 6-chloro-N-ethyl-7-methoxy-2-(2-methylpropyl)quinolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-7-methoxy-2-(2-methylpropyl)quinolin-4-amine
PubChem CID107623093
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name6-chloro-N-ethyl-7-methoxy-2-(2-methylpropyl)quinolin-4-amine
SMILESCCNc1cc(CC(C)C)nc2cc(OC)c(Cl)cc12
InChIInChI=1S/C16H21ClN2O/c1-5-18-14-7-11(6-10(2)3)19-15-9-16(20-4)13(17)8-12(14)15/h7-10H,5-6H2,1-4H3,(H,18,19)
InChIKeyLYFLJMYCOGSOFG-UHFFFAOYSA-N
XLogP4.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-diethyl-6,7-dimethoxyquinolin-4-amine
CID 55045702
N-ethyl-7-fluoro-2-(2-methylpropyl)quinolin-4-amine
CID 103996154
6-chloro-N,2-diethyl-7-fluoroquinolin-4-amine
CID 103996830
6-chloro-7-methoxy-2-methyl-N-propylquinolin-4-amine
CID 107623108
6-chloro-N-ethyl-7-fluoro-2-(methoxymethyl)quinolin-4-amine
CID 113363427
6-chloro-N,2-diethyl-7-methoxy-3-methylquinolin-4-amine
CID 107623092
4-chloro-2-ethyl-6,7-dimethoxyquinoline
CID 43668679
4-chloro-6,7-dimethoxy-2-propylquinoline
CID 43668677
6-chloro-4-(ethylamino)-7-methoxyquinoline-3-carbonitrile
CID 107623067
3,5-dichloro-N-ethyl-2-methoxyaniline
CID 82267013
8-chloro-N-ethyl-5-methoxy-2-propylquinolin-4-amine
CID 55194820
2-ethyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine
CID 113363417

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-7-methoxy-2-(2-methylpropyl)quinolin-4-amine?
The IUPAC name of 6-chloro-N-ethyl-7-methoxy-2-(2-methylpropyl)quinolin-4-amine (CID 107623093) is 6-chloro-N-ethyl-7-methoxy-2-(2-methylpropyl)quinolin-4-amine.
What is the SMILES notation for 6-chloro-N-ethyl-7-methoxy-2-(2-methylpropyl)quinolin-4-amine?
The canonical SMILES for 6-chloro-N-ethyl-7-methoxy-2-(2-methylpropyl)quinolin-4-amine is CCNc1cc(CC(C)C)nc2cc(OC)c(Cl)cc12.
What is the InChIKey of 6-chloro-N-ethyl-7-methoxy-2-(2-methylpropyl)quinolin-4-amine?
The InChIKey is LYFLJMYCOGSOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-5-18-14-7-11(6-10(2)3)19-15-9-16(20-4)13(17)8-12(14)15/h7-10H,5-6H2,1-4H3,(H,18,19).
What are the key properties of 6-chloro-N-ethyl-7-methoxy-2-(2-methylpropyl)quinolin-4-amine?
6-chloro-N-ethyl-7-methoxy-2-(2-methylpropyl)quinolin-4-amine has a molecular weight of 292.81 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-7-methoxy-2-(2-methylpropyl)quinolin-4-amine is sourced from PubChem (CID 107623093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).