8-methoxy-3-methyl-6-propa-1,2-dienylquinoline

C14H13NO — CID 156718239

IUPAC8-methoxy-3-methyl-6-propa-1,2-dienylquinoline
SMILESC=C=Cc1cc(OC)c2ncc(C)cc2c1
InChIInChI=1S/C14H13NO/c1-4-5-11-7-12-6-10(2)9-15-14(12)13(8-11)16-3/h5-9H,1H2,2-3H3
InChIKeyKNGIFUQNHTYPDX-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.35
Rot. Bonds2

About 8-methoxy-3-methyl-6-propa-1,2-dienylquinoline

8-methoxy-3-methyl-6-propa-1,2-dienylquinoline (PubChem CID 156718239) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 8-methoxy-3-methyl-6-propa-1,2-dienylquinoline.

Molecular Properties

Compound Name8-methoxy-3-methyl-6-propa-1,2-dienylquinoline
PubChem CID156718239
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name8-methoxy-3-methyl-6-propa-1,2-dienylquinoline
SMILESC=C=Cc1cc(OC)c2ncc(C)cc2c1
InChIInChI=1S/C14H13NO/c1-4-5-11-7-12-6-10(2)9-15-14(12)13(8-11)16-3/h5-9H,1H2,2-3H3
InChIKeyKNGIFUQNHTYPDX-UHFFFAOYSA-N
XLogP3.35
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methoxyquinoline
CID 14860
Stannane, (8-quinolinolato)tributyl-
CID 16683764
8-Acetoxyquinoline
CID 75777
8-Methoxy-2-Methylquinoline
CID 316986
4-Methyl-8-hydroxyquinoline
CID 345169
8-Methoxyquinoline
CID 70310
8-Ethoxyquinoline
CID 73781
3-Methylquinolin-8-ol
CID 4332281
6-Methoxy-4-methylquinoline
CID 258761
4-Methoxyquinoline
CID 521938
8-Methoxy-N-(2-methylphenyl)-4-quinolinamine
CID 125497
6-Methoxy-3-pyridin-4-yl-quinoline
CID 10354094

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-methyl-6-propa-1,2-dienylquinoline?
The IUPAC name of 8-methoxy-3-methyl-6-propa-1,2-dienylquinoline (CID 156718239) is 8-methoxy-3-methyl-6-propa-1,2-dienylquinoline.
What is the SMILES notation for 8-methoxy-3-methyl-6-propa-1,2-dienylquinoline?
The canonical SMILES for 8-methoxy-3-methyl-6-propa-1,2-dienylquinoline is C=C=Cc1cc(OC)c2ncc(C)cc2c1.
What is the InChIKey of 8-methoxy-3-methyl-6-propa-1,2-dienylquinoline?
The InChIKey is KNGIFUQNHTYPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-4-5-11-7-12-6-10(2)9-15-14(12)13(8-11)16-3/h5-9H,1H2,2-3H3.
What are the key properties of 8-methoxy-3-methyl-6-propa-1,2-dienylquinoline?
8-methoxy-3-methyl-6-propa-1,2-dienylquinoline has a molecular weight of 211.26 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-methyl-6-propa-1,2-dienylquinoline is sourced from PubChem (CID 156718239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).