2-cyclohexa-1,5-dien-1-yl-4,7-dimethoxyquinoline

C17H17NO2 — CID 71108495

IUPAC2-cyclohexa-1,5-dien-1-yl-4,7-dimethoxyquinoline
SMILESCOc1ccc2c(OC)cc(C3=CCCC=C3)nc2c1
InChIInChI=1S/C17H17NO2/c1-19-13-8-9-14-16(10-13)18-15(11-17(14)20-2)12-6-4-3-5-7-12/h4,6-11H,3,5H2,1-2H3
InChIKeyGRWOHSKCGASHEL-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.99
Rot. Bonds3

About 2-cyclohexa-1,5-dien-1-yl-4,7-dimethoxyquinoline

2-cyclohexa-1,5-dien-1-yl-4,7-dimethoxyquinoline (PubChem CID 71108495) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-4,7-dimethoxyquinoline.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-4,7-dimethoxyquinoline
PubChem CID71108495
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2-cyclohexa-1,5-dien-1-yl-4,7-dimethoxyquinoline
SMILESCOc1ccc2c(OC)cc(C3=CCCC=C3)nc2c1
InChIInChI=1S/C17H17NO2/c1-19-13-8-9-14-16(10-13)18-15(11-17(14)20-2)12-6-4-3-5-7-12/h4,6-11H,3,5H2,1-2H3
InChIKeyGRWOHSKCGASHEL-UHFFFAOYSA-N
XLogP3.99
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4,7-dimethoxyquinolin-2-yl)-1,3-thiazole
CID 70319073
(7-methoxy-2-phenylquinolin-4-yl) hypofluorite
CID 143605848
4,7-dimethoxyquinoline
CID 20743716
4,7-dimethoxy-N-[(Z)-prop-1-enyl]quinolin-2-amine;N-methylmethanamine
CID 143643657
1,3,6,8-tetramethoxyacridine
CID 175793272
2-cyclopropyl-7-methoxy-4-propan-2-yloxyquinoline
CID 58755688
ethane;2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4,7-dimethoxyquinoline
CID 143382060
4-iodo-7-methoxy-2-phenylquinoline
CID 143031618
2-(3,5-dimethylphenyl)-7-methoxy-4-methylquinoline
CID 58871373
2-(5,7-dimethoxyquinolin-2-yl)acetonitrile
CID 84625416
4-(4-ethyl-7-methoxyquinolin-2-yl)-N,N-dimethyl-1,3-thiazol-2-amine
CID 70863277
4-(1-iodo-5-methylpyrrolidin-3-yl)oxy-7-methoxy-2-phenylquinoline
CID 143036531

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4,7-dimethoxyquinoline?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4,7-dimethoxyquinoline (CID 71108495) is 2-cyclohexa-1,5-dien-1-yl-4,7-dimethoxyquinoline.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-4,7-dimethoxyquinoline?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-4,7-dimethoxyquinoline is COc1ccc2c(OC)cc(C3=CCCC=C3)nc2c1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-4,7-dimethoxyquinoline?
The InChIKey is GRWOHSKCGASHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-19-13-8-9-14-16(10-13)18-15(11-17(14)20-2)12-6-4-3-5-7-12/h4,6-11H,3,5H2,1-2H3.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-4,7-dimethoxyquinoline?
2-cyclohexa-1,5-dien-1-yl-4,7-dimethoxyquinoline has a molecular weight of 267.33 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-4,7-dimethoxyquinoline is sourced from PubChem (CID 71108495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).