7-methyl-1-phenyl-2-pyridin-4-yl-6-quinolin-6-yl-8H-indolizin-5-one

C29H21N3O — CID 165103704

IUPAC7-methyl-1-phenyl-2-pyridin-4-yl-6-quinolin-6-yl-8H-indolizin-5-one
SMILESCC1=C(c2ccc3ncccc3c2)C(=O)n2cc(-c3ccncc3)c(-c3ccccc3)c2C1
InChIInChI=1S/C29H21N3O/c1-19-16-26-28(21-6-3-2-4-7-21)24(20-11-14-30-15-12-20)18-32(26)29(33)27(19)23-9-10-25-22(17-23)8-5-13-31-25/h2-15,17-18H,16H2,1H3
InChIKeyWEUVYTGORPGTNG-UHFFFAOYSA-N
MW427.51 g/mol
LogP6.44
Rot. Bonds3

About 7-methyl-1-phenyl-2-pyridin-4-yl-6-quinolin-6-yl-8H-indolizin-5-one

7-methyl-1-phenyl-2-pyridin-4-yl-6-quinolin-6-yl-8H-indolizin-5-one (PubChem CID 165103704) has the molecular formula C29H21N3O and a molecular weight of 427.51 g/mol. Its IUPAC name is 7-methyl-1-phenyl-2-pyridin-4-yl-6-quinolin-6-yl-8H-indolizin-5-one.

Molecular Properties

Compound Name7-methyl-1-phenyl-2-pyridin-4-yl-6-quinolin-6-yl-8H-indolizin-5-one
PubChem CID165103704
Molecular FormulaC29H21N3O
Molecular Weight427.51 g/mol
Exact Mass427.17
IUPAC Name7-methyl-1-phenyl-2-pyridin-4-yl-6-quinolin-6-yl-8H-indolizin-5-one
SMILESCC1=C(c2ccc3ncccc3c2)C(=O)n2cc(-c3ccncc3)c(-c3ccccc3)c2C1
InChIInChI=1S/C29H21N3O/c1-19-16-26-28(21-6-3-2-4-7-21)24(20-11-14-30-15-12-20)18-32(26)29(33)27(19)23-9-10-25-22(17-23)8-5-13-31-25/h2-15,17-18H,16H2,1H3
InChIKeyWEUVYTGORPGTNG-UHFFFAOYSA-N
XLogP6.44
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.51
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-5-methyl-3-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 147365910
2-(6-methoxy-3-pyridinyl)-5-methyl-3-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 158391528
5-methyl-2-phenyl-3-piperidin-1-yl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 158881235
3-(cyclohexen-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 152870167
5-(methylaminomethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 153189042
5-(chloromethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 148783799
4-methylpyridine;6-methylquinoline
CID 142243578
6-(3-methylphenyl)quinoline
CID 4185278
3-methyl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
CID 137430865
4-(2-aminoethyl)-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 134347318
methyl 2-[6-(5-methyl-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetate
CID 149298104
5-amino-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 156823924

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-phenyl-2-pyridin-4-yl-6-quinolin-6-yl-8H-indolizin-5-one?
The IUPAC name of 7-methyl-1-phenyl-2-pyridin-4-yl-6-quinolin-6-yl-8H-indolizin-5-one (CID 165103704) is 7-methyl-1-phenyl-2-pyridin-4-yl-6-quinolin-6-yl-8H-indolizin-5-one.
What is the SMILES notation for 7-methyl-1-phenyl-2-pyridin-4-yl-6-quinolin-6-yl-8H-indolizin-5-one?
The canonical SMILES for 7-methyl-1-phenyl-2-pyridin-4-yl-6-quinolin-6-yl-8H-indolizin-5-one is CC1=C(c2ccc3ncccc3c2)C(=O)n2cc(-c3ccncc3)c(-c3ccccc3)c2C1.
What is the InChIKey of 7-methyl-1-phenyl-2-pyridin-4-yl-6-quinolin-6-yl-8H-indolizin-5-one?
The InChIKey is WEUVYTGORPGTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3O/c1-19-16-26-28(21-6-3-2-4-7-21)24(20-11-14-30-15-12-20)18-32(26)29(33)27(19)23-9-10-25-22(17-23)8-5-13-31-25/h2-15,17-18H,16H2,1H3.
What are the key properties of 7-methyl-1-phenyl-2-pyridin-4-yl-6-quinolin-6-yl-8H-indolizin-5-one?
7-methyl-1-phenyl-2-pyridin-4-yl-6-quinolin-6-yl-8H-indolizin-5-one has a molecular weight of 427.51 g/mol, XLogP of 6.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-phenyl-2-pyridin-4-yl-6-quinolin-6-yl-8H-indolizin-5-one is sourced from PubChem (CID 165103704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).