7-methyl-5-oxo-2-phenyl-4H-pyrrolo[1,2-a]quinazoline-3-carbonitrile

C19H13N3O — CID 23854543

IUPAC7-methyl-5-oxo-2-phenyl-4H-pyrrolo[1,2-a]quinazoline-3-carbonitrile
SMILESCc1ccc2c(c1)c(=O)[nH]c1c(C#N)c(-c3ccccc3)cn12
InChIInChI=1S/C19H13N3O/c1-12-7-8-17-14(9-12)19(23)21-18-15(10-20)16(11-22(17)18)13-5-3-2-4-6-13/h2-9,11H,1H3,(H,21,23)
InChIKeyPNFZCNAINGLBHJ-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.63
Rot. Bonds1

About 7-methyl-5-oxo-2-phenyl-4H-pyrrolo[1,2-a]quinazoline-3-carbonitrile

7-methyl-5-oxo-2-phenyl-4H-pyrrolo[1,2-a]quinazoline-3-carbonitrile (PubChem CID 23854543) has the molecular formula C19H13N3O and a molecular weight of 299.33 g/mol. Its IUPAC name is 7-methyl-5-oxo-2-phenyl-4H-pyrrolo[1,2-a]quinazoline-3-carbonitrile.

Molecular Properties

Compound Name7-methyl-5-oxo-2-phenyl-4H-pyrrolo[1,2-a]quinazoline-3-carbonitrile
PubChem CID23854543
Molecular FormulaC19H13N3O
Molecular Weight299.33 g/mol
Exact Mass299.11
IUPAC Name7-methyl-5-oxo-2-phenyl-4H-pyrrolo[1,2-a]quinazoline-3-carbonitrile
SMILESCc1ccc2c(c1)c(=O)[nH]c1c(C#N)c(-c3ccccc3)cn12
InChIInChI=1S/C19H13N3O/c1-12-7-8-17-14(9-12)19(23)21-18-15(10-20)16(11-22(17)18)13-5-3-2-4-6-13/h2-9,11H,1H3,(H,21,23)
InChIKeyPNFZCNAINGLBHJ-UHFFFAOYSA-N
XLogP3.63
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dioxo-3,7-diphenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carbonitrile
CID 592980
2,5-bis(3,6-dimethylcarbazol-9-yl)-3,6-bis(3,6-diphenylcarbazol-9-yl)benzene-1,4-dicarbonitrile
CID 154601716
3-methyl-10-nitro-5,12-dioxo-6H-isoquinolino[2,3-a]quinazoline-7-carbonitrile
CID 142724120
6-methyl-4-[2-(4-methylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168584676
ethane;6-(4-methylphenyl)-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile
CID 142818982
5-[4-(3-methylcarbazol-9-yl)phenyl]-2,3-diphenylbenzonitrile
CID 156678725
4-(3-methylphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656626
2-(4-methylphenyl)-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile
CID 12550717
2-amino-4-(4-methylphenyl)-6-phenylbenzene-1,3-dicarbonitrile
CID 880489
2-[2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]benzonitrile
CID 122430895
6-anilino-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile
CID 12749108
2,6-bis(3,6-dimethylcarbazol-9-yl)-3,5-diphenyl-4-(N-phenylanilino)benzonitrile
CID 137369299

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-oxo-2-phenyl-4H-pyrrolo[1,2-a]quinazoline-3-carbonitrile?
The IUPAC name of 7-methyl-5-oxo-2-phenyl-4H-pyrrolo[1,2-a]quinazoline-3-carbonitrile (CID 23854543) is 7-methyl-5-oxo-2-phenyl-4H-pyrrolo[1,2-a]quinazoline-3-carbonitrile.
What is the SMILES notation for 7-methyl-5-oxo-2-phenyl-4H-pyrrolo[1,2-a]quinazoline-3-carbonitrile?
The canonical SMILES for 7-methyl-5-oxo-2-phenyl-4H-pyrrolo[1,2-a]quinazoline-3-carbonitrile is Cc1ccc2c(c1)c(=O)[nH]c1c(C#N)c(-c3ccccc3)cn12.
What is the InChIKey of 7-methyl-5-oxo-2-phenyl-4H-pyrrolo[1,2-a]quinazoline-3-carbonitrile?
The InChIKey is PNFZCNAINGLBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O/c1-12-7-8-17-14(9-12)19(23)21-18-15(10-20)16(11-22(17)18)13-5-3-2-4-6-13/h2-9,11H,1H3,(H,21,23).
What are the key properties of 7-methyl-5-oxo-2-phenyl-4H-pyrrolo[1,2-a]quinazoline-3-carbonitrile?
7-methyl-5-oxo-2-phenyl-4H-pyrrolo[1,2-a]quinazoline-3-carbonitrile has a molecular weight of 299.33 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-oxo-2-phenyl-4H-pyrrolo[1,2-a]quinazoline-3-carbonitrile is sourced from PubChem (CID 23854543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).