4-chloro-2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-7-methoxyquinoline

C17H16ClNO — CID 142258405

IUPAC4-chloro-2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-7-methoxyquinoline
SMILESC=C/C=C\C=C(/C)c1cc(Cl)c2ccc(OC)cc2n1
InChIInChI=1S/C17H16ClNO/c1-4-5-6-7-12(2)16-11-15(18)14-9-8-13(20-3)10-17(14)19-16/h4-11H,1H2,2-3H3/b6-5-,12-7+
InChIKeyGUOGHOAYWZDIOF-UNKATYBDSA-N
MW285.77 g/mol
LogP5.04
Rot. Bonds4

About 4-chloro-2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-7-methoxyquinoline

4-chloro-2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-7-methoxyquinoline (PubChem CID 142258405) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is 4-chloro-2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-7-methoxyquinoline.

Molecular Properties

Compound Name4-chloro-2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-7-methoxyquinoline
PubChem CID142258405
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name4-chloro-2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-7-methoxyquinoline
SMILESC=C/C=C\C=C(/C)c1cc(Cl)c2ccc(OC)cc2n1
InChIInChI=1S/C17H16ClNO/c1-4-5-6-7-12(2)16-11-15(18)14-9-8-13(20-3)10-17(14)19-16/h4-11H,1H2,2-3H3/b6-5-,12-7+
InChIKeyGUOGHOAYWZDIOF-UNKATYBDSA-N
XLogP5.04
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.77
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-7-methoxyquinoline with MolForge

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

Launch Full Analysis

Related Compounds

ethane;2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4,7-dimethoxyquinoline
CID 143382060
1-chloro-2-ethenyl-6-methoxynaphthalene
CID 59799867
4-chloro-7-methoxy-2-(4-propan-2-yloxyphenyl)quinoline
CID 70978267
4-ethoxy-7-methoxy-2-[(3E)-penta-1,3-dien-3-yl]quinoline;propane
CID 143826650
1-(4-chloro-7-methoxyquinolin-2-yl)-3-phenylthiourea
CID 3246633
2-hexa-2,4-dien-3-yl-7-methoxy-4-methylquinoline
CID 90740649
2-chloro-7-methoxy-4-(4-methoxyphenyl)quinoline
CID 139231038
5-methoxycyclobuta[b]quinoxaline-1,2-diol
CID 146025256
2-chloro-7-methoxy-4-methylquinoline-3-carbaldehyde
CID 84628269
4-chloro-2,7-dimethoxyquinoline-3-carbaldehyde
CID 174859471
4-chloro-7-methoxy-2-propan-2-ylquinazoline
CID 106584178
1-[(1E)-2-(4-chloro-7-ethenylquinolin-2-yl)buta-1,3-dienyl]-1-methylhydrazine
CID 145292511

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-7-methoxyquinoline?
The IUPAC name of 4-chloro-2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-7-methoxyquinoline (CID 142258405) is 4-chloro-2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-7-methoxyquinoline.
What is the SMILES notation for 4-chloro-2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-7-methoxyquinoline?
The canonical SMILES for 4-chloro-2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-7-methoxyquinoline is C=C/C=C\C=C(/C)c1cc(Cl)c2ccc(OC)cc2n1.
What is the InChIKey of 4-chloro-2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-7-methoxyquinoline?
The InChIKey is GUOGHOAYWZDIOF-UNKATYBDSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-4-5-6-7-12(2)16-11-15(18)14-9-8-13(20-3)10-17(14)19-16/h4-11H,1H2,2-3H3/b6-5-,12-7+.
What are the key properties of 4-chloro-2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-7-methoxyquinoline?
4-chloro-2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-7-methoxyquinoline has a molecular weight of 285.77 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-7-methoxyquinoline is sourced from PubChem (CID 142258405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).