2-(3-methoxyphenyl)-6,7-di(pyrrol-1-yl)quinoline

C24H19N3O — CID 59288728

IUPAC2-(3-methoxyphenyl)-6,7-di(pyrrol-1-yl)quinoline
SMILESCOc1cccc(-c2ccc3cc(-n4cccc4)c(-n4cccc4)cc3n2)c1
InChIInChI=1S/C24H19N3O/c1-28-20-8-6-7-18(15-20)21-10-9-19-16-23(26-11-2-3-12-26)24(17-22(19)25-21)27-13-4-5-14-27/h2-17H,1H3
InChIKeyYHXMQUBRQASBDE-UHFFFAOYSA-N
MW365.44 g/mol
LogP5.49
Rot. Bonds4

About 2-(3-methoxyphenyl)-6,7-di(pyrrol-1-yl)quinoline

2-(3-methoxyphenyl)-6,7-di(pyrrol-1-yl)quinoline (PubChem CID 59288728) has the molecular formula C24H19N3O and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-6,7-di(pyrrol-1-yl)quinoline.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-6,7-di(pyrrol-1-yl)quinoline
PubChem CID59288728
Molecular FormulaC24H19N3O
Molecular Weight365.44 g/mol
Exact Mass365.15
IUPAC Name2-(3-methoxyphenyl)-6,7-di(pyrrol-1-yl)quinoline
SMILESCOc1cccc(-c2ccc3cc(-n4cccc4)c(-n4cccc4)cc3n2)c1
InChIInChI=1S/C24H19N3O/c1-28-20-8-6-7-18(15-20)21-10-9-19-16-23(26-11-2-3-12-26)24(17-22(19)25-21)27-13-4-5-14-27/h2-17H,1H3
InChIKeyYHXMQUBRQASBDE-UHFFFAOYSA-N
XLogP5.49
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.44
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-(3-methoxyphenyl)quinoline
CID 53443478
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
6-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 174777628
2-(3-methoxyphenyl)-5-pyrrol-1-yl-1,3-benzoxazole
CID 91674882
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
6-methoxy-2-(3-methoxyphenyl)quinolin-4-amine
CID 69239758
2-(3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 10538832
1-[6-(3-methoxyphenyl)-2-methyl-3-pyridinyl]ethanamine
CID 82452985
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
2-azulen-2-yl-6,7-dimethoxyquinoline
CID 10591430
4-(3-methoxyphenyl)-2,6-dimethylpyrimidine
CID 116897003

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-6,7-di(pyrrol-1-yl)quinoline?
The IUPAC name of 2-(3-methoxyphenyl)-6,7-di(pyrrol-1-yl)quinoline (CID 59288728) is 2-(3-methoxyphenyl)-6,7-di(pyrrol-1-yl)quinoline.
What is the SMILES notation for 2-(3-methoxyphenyl)-6,7-di(pyrrol-1-yl)quinoline?
The canonical SMILES for 2-(3-methoxyphenyl)-6,7-di(pyrrol-1-yl)quinoline is COc1cccc(-c2ccc3cc(-n4cccc4)c(-n4cccc4)cc3n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-6,7-di(pyrrol-1-yl)quinoline?
The InChIKey is YHXMQUBRQASBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O/c1-28-20-8-6-7-18(15-20)21-10-9-19-16-23(26-11-2-3-12-26)24(17-22(19)25-21)27-13-4-5-14-27/h2-17H,1H3.
What are the key properties of 2-(3-methoxyphenyl)-6,7-di(pyrrol-1-yl)quinoline?
2-(3-methoxyphenyl)-6,7-di(pyrrol-1-yl)quinoline has a molecular weight of 365.44 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-6,7-di(pyrrol-1-yl)quinoline is sourced from PubChem (CID 59288728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).