1-(4-nitrobenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile

C20H11N3O3 — CID 10337357

IUPAC1-(4-nitrobenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile
SMILESN#Cc1cc(C(=O)c2ccc([N+](=O)[O-])cc2)n2c1ccc1ccccc12
InChIInChI=1S/C20H11N3O3/c21-12-15-11-19(20(24)14-5-8-16(9-6-14)23(25)26)22-17-4-2-1-3-13(17)7-10-18(15)22/h1-11H
InChIKeyCOHZGSGBUTVISV-UHFFFAOYSA-N
MW341.33 g/mol
LogP4.10
Rot. Bonds3

About 1-(4-nitrobenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile

1-(4-nitrobenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile (PubChem CID 10337357) has the molecular formula C20H11N3O3 and a molecular weight of 341.33 g/mol. Its IUPAC name is 1-(4-nitrobenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile.

Molecular Properties

Compound Name1-(4-nitrobenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile
PubChem CID10337357
Molecular FormulaC20H11N3O3
Molecular Weight341.33 g/mol
Exact Mass341.08
IUPAC Name1-(4-nitrobenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile
SMILESN#Cc1cc(C(=O)c2ccc([N+](=O)[O-])cc2)n2c1ccc1ccccc12
InChIInChI=1S/C20H11N3O3/c21-12-15-11-19(20(24)14-5-8-16(9-6-14)23(25)26)22-17-4-2-1-3-13(17)7-10-18(15)22/h1-11H
InChIKeyCOHZGSGBUTVISV-UHFFFAOYSA-N
XLogP4.10
TPSA88.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-nitrobenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[3-(4-nitrobenzoyl)-[1,3]thiazolo[3,4-a]quinolin-1-ylidene]benzamide
CID 139237492
1-(4-methoxybenzoyl)pyrrolo[1,2-a]quinoxaline-3-carbonitrile
CID 10042094
methanediimine;bis((4-nitrophenyl)-phenylmethanone)
CID 174915149
carbonic acid;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 175319577
ethyl 5-methyl-1-(4-nitrobenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CID 4195476
[2,3-bis(4-nitrobenzoyl)indolizin-1-yl]-(4-nitrophenyl)methanone
CID 10030781
acetic acid;(4-nitrophenyl)-phenylmethanone
CID 162340702
hydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 172745216
ethyl 1-(4-bromobenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CID 980306
(4-nitrophenyl)-phenylmethanone;oxaldehydic acid
CID 175307297
(4-nitrophenyl)-phenylmethanone;propan-2-ol
CID 174454674
(4-nitrophenyl)methyl naphthalene-2-carboxylate
CID 2507538

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrobenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile?
The IUPAC name of 1-(4-nitrobenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile (CID 10337357) is 1-(4-nitrobenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile.
What is the SMILES notation for 1-(4-nitrobenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile?
The canonical SMILES for 1-(4-nitrobenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile is N#Cc1cc(C(=O)c2ccc([N+](=O)[O-])cc2)n2c1ccc1ccccc12.
What is the InChIKey of 1-(4-nitrobenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile?
The InChIKey is COHZGSGBUTVISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11N3O3/c21-12-15-11-19(20(24)14-5-8-16(9-6-14)23(25)26)22-17-4-2-1-3-13(17)7-10-18(15)22/h1-11H.
What are the key properties of 1-(4-nitrobenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile?
1-(4-nitrobenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile has a molecular weight of 341.33 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrobenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile is sourced from PubChem (CID 10337357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).