2-[(4-methylphenyl)methyl]-9-phenylpyrrolo[3,4-b]quinolin-1-ol

C25H20N2O — CID 135995962

IUPAC2-[(4-methylphenyl)methyl]-9-phenylpyrrolo[3,4-b]quinolin-1-ol
SMILESCc1ccc(Cn2cc3nc4ccccc4c(-c4ccccc4)c3c2O)cc1
InChIInChI=1S/C25H20N2O/c1-17-11-13-18(14-12-17)15-27-16-22-24(25(27)28)23(19-7-3-2-4-8-19)20-9-5-6-10-21(20)26-22/h2-14,16,28H,15H2,1H3
InChIKeyKUGMSIBOZMPXJB-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.92
Rot. Bonds3

About 2-[(4-methylphenyl)methyl]-9-phenylpyrrolo[3,4-b]quinolin-1-ol

2-[(4-methylphenyl)methyl]-9-phenylpyrrolo[3,4-b]quinolin-1-ol (PubChem CID 135995962) has the molecular formula C25H20N2O and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-9-phenylpyrrolo[3,4-b]quinolin-1-ol.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-9-phenylpyrrolo[3,4-b]quinolin-1-ol
PubChem CID135995962
Molecular FormulaC25H20N2O
Molecular Weight364.45 g/mol
Exact Mass364.16
IUPAC Name2-[(4-methylphenyl)methyl]-9-phenylpyrrolo[3,4-b]quinolin-1-ol
SMILESCc1ccc(Cn2cc3nc4ccccc4c(-c4ccccc4)c3c2O)cc1
InChIInChI=1S/C25H20N2O/c1-17-11-13-18(14-12-17)15-27-16-22-24(25(27)28)23(19-7-3-2-4-8-19)20-9-5-6-10-21(20)26-22/h2-14,16,28H,15H2,1H3
InChIKeyKUGMSIBOZMPXJB-UHFFFAOYSA-N
XLogP5.92
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]-9-phenylpyrrolo[3,4-b]quinolin-1-ol?
The IUPAC name of 2-[(4-methylphenyl)methyl]-9-phenylpyrrolo[3,4-b]quinolin-1-ol (CID 135995962) is 2-[(4-methylphenyl)methyl]-9-phenylpyrrolo[3,4-b]quinolin-1-ol.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-9-phenylpyrrolo[3,4-b]quinolin-1-ol?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-9-phenylpyrrolo[3,4-b]quinolin-1-ol is Cc1ccc(Cn2cc3nc4ccccc4c(-c4ccccc4)c3c2O)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-9-phenylpyrrolo[3,4-b]quinolin-1-ol?
The InChIKey is KUGMSIBOZMPXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O/c1-17-11-13-18(14-12-17)15-27-16-22-24(25(27)28)23(19-7-3-2-4-8-19)20-9-5-6-10-21(20)26-22/h2-14,16,28H,15H2,1H3.
What are the key properties of 2-[(4-methylphenyl)methyl]-9-phenylpyrrolo[3,4-b]quinolin-1-ol?
2-[(4-methylphenyl)methyl]-9-phenylpyrrolo[3,4-b]quinolin-1-ol has a molecular weight of 364.45 g/mol, XLogP of 5.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]-9-phenylpyrrolo[3,4-b]quinolin-1-ol is sourced from PubChem (CID 135995962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).