5-oxo-6-quinolin-3-yl-2,3-dihydro-1H-indolizine-8-carbonitrile

C18H13N3O — CID 71734429

IUPAC5-oxo-6-quinolin-3-yl-2,3-dihydro-1H-indolizine-8-carbonitrile
SMILESN#Cc1cc(-c2cnc3ccccc3c2)c(=O)n2c1CCC2
InChIInChI=1S/C18H13N3O/c19-10-13-9-15(18(22)21-7-3-6-17(13)21)14-8-12-4-1-2-5-16(12)20-11-14/h1-2,4-5,8-9,11H,3,6-7H2
InChIKeyNLBMJNNZDTYXQA-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.88
Rot. Bonds1

About 5-oxo-6-quinolin-3-yl-2,3-dihydro-1H-indolizine-8-carbonitrile

5-oxo-6-quinolin-3-yl-2,3-dihydro-1H-indolizine-8-carbonitrile (PubChem CID 71734429) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-oxo-6-quinolin-3-yl-2,3-dihydro-1H-indolizine-8-carbonitrile.

Molecular Properties

Compound Name5-oxo-6-quinolin-3-yl-2,3-dihydro-1H-indolizine-8-carbonitrile
PubChem CID71734429
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name5-oxo-6-quinolin-3-yl-2,3-dihydro-1H-indolizine-8-carbonitrile
SMILESN#Cc1cc(-c2cnc3ccccc3c2)c(=O)n2c1CCC2
InChIInChI=1S/C18H13N3O/c19-10-13-9-15(18(22)21-7-3-6-17(13)21)14-8-12-4-1-2-5-16(12)20-11-14/h1-2,4-5,8-9,11H,3,6-7H2
InChIKeyNLBMJNNZDTYXQA-UHFFFAOYSA-N
XLogP2.88
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-quinolin-3-ylpyridine-2-carbonitrile
CID 56714756
2-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile
CID 67308148
7-quinolin-3-yl-3,4-dihydro-2H-naphthalen-1-one
CID 82540945
4-(4-cyano-6-quinolin-3-ylpyrimidin-2-yl)piperazine-1-carboxylic acid
CID 175793867
2-quinolin-3-ylaniline
CID 4134401
3-(aminomethyl)-4-quinolin-3-ylbenzoic acid
CID 142468627
3-(2,3-dihydro-1H-indol-4-yl)quinoline
CID 116698310
2-quinolin-3-ylpyridine-4-carbonitrile
CID 56718080
1-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidin-3-one
CID 148943312
carbonyl dichloride;quinoline-3-carboxylic acid
CID 175289113
3-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline
CID 91488150
3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 58322543

Frequently Asked Questions

What is the IUPAC name of 5-oxo-6-quinolin-3-yl-2,3-dihydro-1H-indolizine-8-carbonitrile?
The IUPAC name of 5-oxo-6-quinolin-3-yl-2,3-dihydro-1H-indolizine-8-carbonitrile (CID 71734429) is 5-oxo-6-quinolin-3-yl-2,3-dihydro-1H-indolizine-8-carbonitrile.
What is the SMILES notation for 5-oxo-6-quinolin-3-yl-2,3-dihydro-1H-indolizine-8-carbonitrile?
The canonical SMILES for 5-oxo-6-quinolin-3-yl-2,3-dihydro-1H-indolizine-8-carbonitrile is N#Cc1cc(-c2cnc3ccccc3c2)c(=O)n2c1CCC2.
What is the InChIKey of 5-oxo-6-quinolin-3-yl-2,3-dihydro-1H-indolizine-8-carbonitrile?
The InChIKey is NLBMJNNZDTYXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c19-10-13-9-15(18(22)21-7-3-6-17(13)21)14-8-12-4-1-2-5-16(12)20-11-14/h1-2,4-5,8-9,11H,3,6-7H2.
What are the key properties of 5-oxo-6-quinolin-3-yl-2,3-dihydro-1H-indolizine-8-carbonitrile?
5-oxo-6-quinolin-3-yl-2,3-dihydro-1H-indolizine-8-carbonitrile has a molecular weight of 287.32 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-6-quinolin-3-yl-2,3-dihydro-1H-indolizine-8-carbonitrile is sourced from PubChem (CID 71734429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).