7-chloro-N-ethyl-8-methyl-2-phenylquinolin-4-amine

C18H17ClN2 — CID 63479901

IUPAC7-chloro-N-ethyl-8-methyl-2-phenylquinolin-4-amine
SMILESCCNc1cc(-c2ccccc2)nc2c(C)c(Cl)ccc12
InChIInChI=1S/C18H17ClN2/c1-3-20-17-11-16(13-7-5-4-6-8-13)21-18-12(2)15(19)10-9-14(17)18/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyMAZGYJXKMGAKFT-UHFFFAOYSA-N
MW296.80 g/mol
LogP5.30
Rot. Bonds3

About 7-chloro-N-ethyl-8-methyl-2-phenylquinolin-4-amine

7-chloro-N-ethyl-8-methyl-2-phenylquinolin-4-amine (PubChem CID 63479901) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 7-chloro-N-ethyl-8-methyl-2-phenylquinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-ethyl-8-methyl-2-phenylquinolin-4-amine
PubChem CID63479901
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC Name7-chloro-N-ethyl-8-methyl-2-phenylquinolin-4-amine
SMILESCCNc1cc(-c2ccccc2)nc2c(C)c(Cl)ccc12
InChIInChI=1S/C18H17ClN2/c1-3-20-17-11-16(13-7-5-4-6-8-13)21-18-12(2)15(19)10-9-14(17)18/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyMAZGYJXKMGAKFT-UHFFFAOYSA-N
XLogP5.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.80
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-ethyl-8-methyl-2-phenylquinolin-4-amine?
The IUPAC name of 7-chloro-N-ethyl-8-methyl-2-phenylquinolin-4-amine (CID 63479901) is 7-chloro-N-ethyl-8-methyl-2-phenylquinolin-4-amine.
What is the SMILES notation for 7-chloro-N-ethyl-8-methyl-2-phenylquinolin-4-amine?
The canonical SMILES for 7-chloro-N-ethyl-8-methyl-2-phenylquinolin-4-amine is CCNc1cc(-c2ccccc2)nc2c(C)c(Cl)ccc12.
What is the InChIKey of 7-chloro-N-ethyl-8-methyl-2-phenylquinolin-4-amine?
The InChIKey is MAZGYJXKMGAKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2/c1-3-20-17-11-16(13-7-5-4-6-8-13)21-18-12(2)15(19)10-9-14(17)18/h4-11H,3H2,1-2H3,(H,20,21).
What are the key properties of 7-chloro-N-ethyl-8-methyl-2-phenylquinolin-4-amine?
7-chloro-N-ethyl-8-methyl-2-phenylquinolin-4-amine has a molecular weight of 296.80 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-ethyl-8-methyl-2-phenylquinolin-4-amine is sourced from PubChem (CID 63479901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).