5-(4-methoxyphenyl)-4-(4-methylphenyl)pyrrolo[1,2-a]quinoline

C26H21NO — CID 53387757

IUPAC5-(4-methoxyphenyl)-4-(4-methylphenyl)pyrrolo[1,2-a]quinoline
SMILESCOc1ccc(-c2c(-c3ccc(C)cc3)c3cccn3c3ccccc23)cc1
InChIInChI=1S/C26H21NO/c1-18-9-11-20(12-10-18)26-24-8-5-17-27(24)23-7-4-3-6-22(23)25(26)19-13-15-21(28-2)16-14-19/h3-17H,1-2H3
InChIKeyFKDSDOPMLJBCBX-UHFFFAOYSA-N
MW363.46 g/mol
LogP6.74
Rot. Bonds3

About 5-(4-methoxyphenyl)-4-(4-methylphenyl)pyrrolo[1,2-a]quinoline

5-(4-methoxyphenyl)-4-(4-methylphenyl)pyrrolo[1,2-a]quinoline (PubChem CID 53387757) has the molecular formula C26H21NO and a molecular weight of 363.46 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-(4-methylphenyl)pyrrolo[1,2-a]quinoline.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-(4-methylphenyl)pyrrolo[1,2-a]quinoline
PubChem CID53387757
Molecular FormulaC26H21NO
Molecular Weight363.46 g/mol
Exact Mass363.16
IUPAC Name5-(4-methoxyphenyl)-4-(4-methylphenyl)pyrrolo[1,2-a]quinoline
SMILESCOc1ccc(-c2c(-c3ccc(C)cc3)c3cccn3c3ccccc23)cc1
InChIInChI=1S/C26H21NO/c1-18-9-11-20(12-10-18)26-24-8-5-17-27(24)23-7-4-3-6-22(23)25(26)19-13-15-21(28-2)16-14-19/h3-17H,1-2H3
InChIKeyFKDSDOPMLJBCBX-UHFFFAOYSA-N
XLogP6.74
TPSA13.64 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-4-(4-methylphenyl)pyrrolo[1,2-a]quinoline?
The IUPAC name of 5-(4-methoxyphenyl)-4-(4-methylphenyl)pyrrolo[1,2-a]quinoline (CID 53387757) is 5-(4-methoxyphenyl)-4-(4-methylphenyl)pyrrolo[1,2-a]quinoline.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-(4-methylphenyl)pyrrolo[1,2-a]quinoline?
The canonical SMILES for 5-(4-methoxyphenyl)-4-(4-methylphenyl)pyrrolo[1,2-a]quinoline is COc1ccc(-c2c(-c3ccc(C)cc3)c3cccn3c3ccccc23)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-(4-methylphenyl)pyrrolo[1,2-a]quinoline?
The InChIKey is FKDSDOPMLJBCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO/c1-18-9-11-20(12-10-18)26-24-8-5-17-27(24)23-7-4-3-6-22(23)25(26)19-13-15-21(28-2)16-14-19/h3-17H,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-4-(4-methylphenyl)pyrrolo[1,2-a]quinoline?
5-(4-methoxyphenyl)-4-(4-methylphenyl)pyrrolo[1,2-a]quinoline has a molecular weight of 363.46 g/mol, XLogP of 6.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-4-(4-methylphenyl)pyrrolo[1,2-a]quinoline is sourced from PubChem (CID 53387757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).