2-hexa-2,4-dien-3-yl-7-methoxy-4-methylquinoline

C17H19NO — CID 90740649

IUPAC2-hexa-2,4-dien-3-yl-7-methoxy-4-methylquinoline
SMILESCC=CC(=CC)c1cc(C)c2ccc(OC)cc2n1
InChIInChI=1S/C17H19NO/c1-5-7-13(6-2)16-10-12(3)15-9-8-14(19-4)11-17(15)18-16/h5-11H,1-4H3
InChIKeyGOHNZMUXDMBNEK-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.53
Rot. Bonds3

About 2-hexa-2,4-dien-3-yl-7-methoxy-4-methylquinoline

2-hexa-2,4-dien-3-yl-7-methoxy-4-methylquinoline (PubChem CID 90740649) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-hexa-2,4-dien-3-yl-7-methoxy-4-methylquinoline.

Molecular Properties

Compound Name2-hexa-2,4-dien-3-yl-7-methoxy-4-methylquinoline
PubChem CID90740649
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name2-hexa-2,4-dien-3-yl-7-methoxy-4-methylquinoline
SMILESCC=CC(=CC)c1cc(C)c2ccc(OC)cc2n1
InChIInChI=1S/C17H19NO/c1-5-7-13(6-2)16-10-12(3)15-9-8-14(19-4)11-17(15)18-16/h5-11H,1-4H3
InChIKeyGOHNZMUXDMBNEK-UHFFFAOYSA-N
XLogP4.53
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-4-methylquinolin-2-amine
CID 53485904
7-methoxy-N,4-dimethylquinolin-2-amine
CID 84619850
4-ethoxy-7-methoxy-2-[(3E)-penta-1,3-dien-3-yl]quinoline;propane
CID 143826650
7-methoxy-4-methylquinoline-2-carbonitrile
CID 82573251
ethane;2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4,7-dimethoxyquinoline
CID 143382060
1-(6-methoxy-4-methylquinolin-2-yl)ethanone
CID 82576202
2-(3,5-dimethylphenyl)-7-methoxy-4-methylquinoline
CID 58871373
2-(7-methoxy-4-methylquinolin-2-yl)acetic acid
CID 82574913
methyl (2Z)-7-methoxy-4-methyl-N-[1-(propan-2-ylamino)ethenyl]quinoline-2-carboximidothioate
CID 143117397
7-methoxy-2-methylquinazoline-4-carbaldehyde
CID 105454201
2-(3,5-dimethylpyrazol-1-yl)-7-methoxy-4-methylquinoline
CID 3683269
(2R)-1-(7-methoxy-4-methylquinolin-2-yl)butan-2-ol
CID 97120885

Frequently Asked Questions

What is the IUPAC name of 2-hexa-2,4-dien-3-yl-7-methoxy-4-methylquinoline?
The IUPAC name of 2-hexa-2,4-dien-3-yl-7-methoxy-4-methylquinoline (CID 90740649) is 2-hexa-2,4-dien-3-yl-7-methoxy-4-methylquinoline.
What is the SMILES notation for 2-hexa-2,4-dien-3-yl-7-methoxy-4-methylquinoline?
The canonical SMILES for 2-hexa-2,4-dien-3-yl-7-methoxy-4-methylquinoline is CC=CC(=CC)c1cc(C)c2ccc(OC)cc2n1.
What is the InChIKey of 2-hexa-2,4-dien-3-yl-7-methoxy-4-methylquinoline?
The InChIKey is GOHNZMUXDMBNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-5-7-13(6-2)16-10-12(3)15-9-8-14(19-4)11-17(15)18-16/h5-11H,1-4H3.
What are the key properties of 2-hexa-2,4-dien-3-yl-7-methoxy-4-methylquinoline?
2-hexa-2,4-dien-3-yl-7-methoxy-4-methylquinoline has a molecular weight of 253.34 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexa-2,4-dien-3-yl-7-methoxy-4-methylquinoline is sourced from PubChem (CID 90740649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).