4-chloro-6-methoxy-2-methyl-4a,8a-dihydroquinoline

C11H12ClNO — CID 3561578

IUPAC4-chloro-6-methoxy-2-methyl-4a,8a-dihydroquinoline
SMILESCOC1=CC2C(Cl)=CC(C)=NC2C=C1
InChIInChI=1S/C11H12ClNO/c1-7-5-10(12)9-6-8(14-2)3-4-11(9)13-7/h3-6,9,11H,1-2H3
InChIKeyGIALASZJRWGZGO-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.67
Rot. Bonds1

About 4-chloro-6-methoxy-2-methyl-4a,8a-dihydroquinoline

4-chloro-6-methoxy-2-methyl-4a,8a-dihydroquinoline (PubChem CID 3561578) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 4-chloro-6-methoxy-2-methyl-4a,8a-dihydroquinoline.

Molecular Properties

Compound Name4-chloro-6-methoxy-2-methyl-4a,8a-dihydroquinoline
PubChem CID3561578
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name4-chloro-6-methoxy-2-methyl-4a,8a-dihydroquinoline
SMILESCOC1=CC2C(Cl)=CC(C)=NC2C=C1
InChIInChI=1S/C11H12ClNO/c1-7-5-10(12)9-6-8(14-2)3-4-11(9)13-7/h3-6,9,11H,1-2H3
InChIKeyGIALASZJRWGZGO-UHFFFAOYSA-N
XLogP2.67
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-2-methyl-4a,8a-dihydroquinoline?
The IUPAC name of 4-chloro-6-methoxy-2-methyl-4a,8a-dihydroquinoline (CID 3561578) is 4-chloro-6-methoxy-2-methyl-4a,8a-dihydroquinoline.
What is the SMILES notation for 4-chloro-6-methoxy-2-methyl-4a,8a-dihydroquinoline?
The canonical SMILES for 4-chloro-6-methoxy-2-methyl-4a,8a-dihydroquinoline is COC1=CC2C(Cl)=CC(C)=NC2C=C1.
What is the InChIKey of 4-chloro-6-methoxy-2-methyl-4a,8a-dihydroquinoline?
The InChIKey is GIALASZJRWGZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-7-5-10(12)9-6-8(14-2)3-4-11(9)13-7/h3-6,9,11H,1-2H3.
What are the key properties of 4-chloro-6-methoxy-2-methyl-4a,8a-dihydroquinoline?
4-chloro-6-methoxy-2-methyl-4a,8a-dihydroquinoline has a molecular weight of 209.68 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-2-methyl-4a,8a-dihydroquinoline is sourced from PubChem (CID 3561578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).