4-chloro-8-methoxy-2-methyl-3-propan-2-ylquinoline

C14H16ClNO — CID 62913697

IUPAC4-chloro-8-methoxy-2-methyl-3-propan-2-ylquinoline
SMILESCOc1cccc2c(Cl)c(C(C)C)c(C)nc12
InChIInChI=1S/C14H16ClNO/c1-8(2)12-9(3)16-14-10(13(12)15)6-5-7-11(14)17-4/h5-8H,1-4H3
InChIKeySTEYSKHJITWISH-UHFFFAOYSA-N
MW249.74 g/mol
LogP4.33
Rot. Bonds2

About 4-chloro-8-methoxy-2-methyl-3-propan-2-ylquinoline

4-chloro-8-methoxy-2-methyl-3-propan-2-ylquinoline (PubChem CID 62913697) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 4-chloro-8-methoxy-2-methyl-3-propan-2-ylquinoline.

Molecular Properties

Compound Name4-chloro-8-methoxy-2-methyl-3-propan-2-ylquinoline
PubChem CID62913697
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name4-chloro-8-methoxy-2-methyl-3-propan-2-ylquinoline
SMILESCOc1cccc2c(Cl)c(C(C)C)c(C)nc12
InChIInChI=1S/C14H16ClNO/c1-8(2)12-9(3)16-14-10(13(12)15)6-5-7-11(14)17-4/h5-8H,1-4H3
InChIKeySTEYSKHJITWISH-UHFFFAOYSA-N
XLogP4.33
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-8-methoxy-2-methyl-3-propan-2-ylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-methoxy-2-methyl-3-propan-2-ylquinoline?
The IUPAC name of 4-chloro-8-methoxy-2-methyl-3-propan-2-ylquinoline (CID 62913697) is 4-chloro-8-methoxy-2-methyl-3-propan-2-ylquinoline.
What is the SMILES notation for 4-chloro-8-methoxy-2-methyl-3-propan-2-ylquinoline?
The canonical SMILES for 4-chloro-8-methoxy-2-methyl-3-propan-2-ylquinoline is COc1cccc2c(Cl)c(C(C)C)c(C)nc12.
What is the InChIKey of 4-chloro-8-methoxy-2-methyl-3-propan-2-ylquinoline?
The InChIKey is STEYSKHJITWISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-8(2)12-9(3)16-14-10(13(12)15)6-5-7-11(14)17-4/h5-8H,1-4H3.
What are the key properties of 4-chloro-8-methoxy-2-methyl-3-propan-2-ylquinoline?
4-chloro-8-methoxy-2-methyl-3-propan-2-ylquinoline has a molecular weight of 249.74 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-methoxy-2-methyl-3-propan-2-ylquinoline is sourced from PubChem (CID 62913697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).