5-chloro-N-ethyl-8-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine

C16H21ClN2O — CID 63481445

IUPAC5-chloro-N-ethyl-8-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine
SMILESCCNc1c(C(C)C)c(C)nc2c(OC)ccc(Cl)c12
InChIInChI=1S/C16H21ClN2O/c1-6-18-16-13(9(2)3)10(4)19-15-12(20-5)8-7-11(17)14(15)16/h7-9H,6H2,1-5H3,(H,18,19)
InChIKeyHIUFUURUZBBLKN-UHFFFAOYSA-N
MW292.81 g/mol
LogP4.76
Rot. Bonds4

About 5-chloro-N-ethyl-8-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine

5-chloro-N-ethyl-8-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine (PubChem CID 63481445) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 5-chloro-N-ethyl-8-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-8-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine
PubChem CID63481445
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name5-chloro-N-ethyl-8-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine
SMILESCCNc1c(C(C)C)c(C)nc2c(OC)ccc(Cl)c12
InChIInChI=1S/C16H21ClN2O/c1-6-18-16-13(9(2)3)10(4)19-15-12(20-5)8-7-11(17)14(15)16/h7-9H,6H2,1-5H3,(H,18,19)
InChIKeyHIUFUURUZBBLKN-UHFFFAOYSA-N
XLogP4.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5,8-dimethoxy-2-methyl-3-propan-2-ylquinoline
CID 55186942
8-chloro-2,5-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine
CID 107628768
N-ethyl-2-methyl-3-propan-2-ylbenzo[h]quinolin-4-amine
CID 63480758
5-chloro-N-ethyl-7-fluoro-2-methyl-3-propan-2-ylquinolin-4-amine
CID 107370593
7-chloro-2,8-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine
CID 63481435
N-ethyl-8-methoxy-5-methyl-2-propan-2-ylquinolin-4-amine
CID 55194431
8-chloro-N-ethyl-5-methoxy-2-propylquinolin-4-amine
CID 55194820
4,5,8-trichloro-2-methyl-3-propan-2-ylquinoline
CID 55188455
(8-chloro-5-methoxy-2,3-dimethylquinolin-4-yl)hydrazine
CID 62251551
4-chloro-8-methoxy-2-methyl-3-propan-2-ylquinoline
CID 62913697
8-chloro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine
CID 63480623
5-bromo-N,2-diethyl-8-methoxy-3-methylquinolin-4-amine
CID 55222432

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-8-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine?
The IUPAC name of 5-chloro-N-ethyl-8-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine (CID 63481445) is 5-chloro-N-ethyl-8-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine.
What is the SMILES notation for 5-chloro-N-ethyl-8-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine?
The canonical SMILES for 5-chloro-N-ethyl-8-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine is CCNc1c(C(C)C)c(C)nc2c(OC)ccc(Cl)c12.
What is the InChIKey of 5-chloro-N-ethyl-8-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine?
The InChIKey is HIUFUURUZBBLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-6-18-16-13(9(2)3)10(4)19-15-12(20-5)8-7-11(17)14(15)16/h7-9H,6H2,1-5H3,(H,18,19).
What are the key properties of 5-chloro-N-ethyl-8-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine?
5-chloro-N-ethyl-8-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine has a molecular weight of 292.81 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-8-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine is sourced from PubChem (CID 63481445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).