5-chloro-2,3-dimethyl-8-phenoxyquinolin-4-amine

C17H15ClN2O — CID 63481080

IUPAC5-chloro-2,3-dimethyl-8-phenoxyquinolin-4-amine
SMILESCc1nc2c(Oc3ccccc3)ccc(Cl)c2c(N)c1C
InChIInChI=1S/C17H15ClN2O/c1-10-11(2)20-17-14(21-12-6-4-3-5-7-12)9-8-13(18)15(17)16(10)19/h3-9H,1-2H3,(H2,19,20)
InChIKeyHRUMVPWLMLDUDE-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.88
Rot. Bonds2

About 5-chloro-2,3-dimethyl-8-phenoxyquinolin-4-amine

5-chloro-2,3-dimethyl-8-phenoxyquinolin-4-amine (PubChem CID 63481080) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 5-chloro-2,3-dimethyl-8-phenoxyquinolin-4-amine.

Molecular Properties

Compound Name5-chloro-2,3-dimethyl-8-phenoxyquinolin-4-amine
PubChem CID63481080
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name5-chloro-2,3-dimethyl-8-phenoxyquinolin-4-amine
SMILESCc1nc2c(Oc3ccccc3)ccc(Cl)c2c(N)c1C
InChIInChI=1S/C17H15ClN2O/c1-10-11(2)20-17-14(21-12-6-4-3-5-7-12)9-8-13(18)15(17)16(10)19/h3-9H,1-2H3,(H2,19,20)
InChIKeyHRUMVPWLMLDUDE-UHFFFAOYSA-N
XLogP4.88
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,3-dimethyl-8-phenoxyquinolin-4-amine?
The IUPAC name of 5-chloro-2,3-dimethyl-8-phenoxyquinolin-4-amine (CID 63481080) is 5-chloro-2,3-dimethyl-8-phenoxyquinolin-4-amine.
What is the SMILES notation for 5-chloro-2,3-dimethyl-8-phenoxyquinolin-4-amine?
The canonical SMILES for 5-chloro-2,3-dimethyl-8-phenoxyquinolin-4-amine is Cc1nc2c(Oc3ccccc3)ccc(Cl)c2c(N)c1C.
What is the InChIKey of 5-chloro-2,3-dimethyl-8-phenoxyquinolin-4-amine?
The InChIKey is HRUMVPWLMLDUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-10-11(2)20-17-14(21-12-6-4-3-5-7-12)9-8-13(18)15(17)16(10)19/h3-9H,1-2H3,(H2,19,20).
What are the key properties of 5-chloro-2,3-dimethyl-8-phenoxyquinolin-4-amine?
5-chloro-2,3-dimethyl-8-phenoxyquinolin-4-amine has a molecular weight of 298.77 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-dimethyl-8-phenoxyquinolin-4-amine is sourced from PubChem (CID 63481080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).