1-methyl-4-nitro-N-(2-quinolin-8-ylethyl)pyrrole-2-carboxamide

C17H16N4O3 — CID 36646719

IUPAC1-methyl-4-nitro-N-(2-quinolin-8-ylethyl)pyrrole-2-carboxamide
SMILESCn1cc([N+](=O)[O-])cc1C(=O)NCCc1cccc2cccnc12
InChIInChI=1S/C17H16N4O3/c1-20-11-14(21(23)24)10-15(20)17(22)19-9-7-13-5-2-4-12-6-3-8-18-16(12)13/h2-6,8,10-11H,7,9H2,1H3,(H,19,22)
InChIKeyKZRNAGZYDRYDJP-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.45
Rot. Bonds5

About 1-methyl-4-nitro-N-(2-quinolin-8-ylethyl)pyrrole-2-carboxamide

1-methyl-4-nitro-N-(2-quinolin-8-ylethyl)pyrrole-2-carboxamide (PubChem CID 36646719) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 1-methyl-4-nitro-N-(2-quinolin-8-ylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-nitro-N-(2-quinolin-8-ylethyl)pyrrole-2-carboxamide
PubChem CID36646719
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name1-methyl-4-nitro-N-(2-quinolin-8-ylethyl)pyrrole-2-carboxamide
SMILESCn1cc([N+](=O)[O-])cc1C(=O)NCCc1cccc2cccnc12
InChIInChI=1S/C17H16N4O3/c1-20-11-14(21(23)24)10-15(20)17(22)19-9-7-13-5-2-4-12-6-3-8-18-16(12)13/h2-6,8,10-11H,7,9H2,1H3,(H,19,22)
InChIKeyKZRNAGZYDRYDJP-UHFFFAOYSA-N
XLogP2.45
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
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-methyl-4-nitro-N-(2-quinolin-8-ylethyl)pyrrole-2-carboxamide 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

1-methyl-4-nitro-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 36714081
1-methyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide
CID 18149355
N-methyl-5-nitro-2-(2-quinolin-8-ylethylamino)benzamide
CID 87020903
N-[[2-(aminomethyl)phenyl]methyl]-1-methyl-4-nitropyrrole-2-carboxamide
CID 62950260
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
N-(4-bromobutyl)-1-methyl-4-nitropyrrole-2-carboxamide
CID 106845787
1-methyl-4-nitro-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide
CID 55100818
4-methoxy-N-(2-quinolin-8-ylethyl)benzamide
CID 18149251
(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595
2-methyl-5-methylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide
CID 18144324
N-(6-chloro-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide
CID 115683304
(E)-N-(2-quinolin-8-ylethyl)but-2-enamide
CID 112723855

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-nitro-N-(2-quinolin-8-ylethyl)pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-nitro-N-(2-quinolin-8-ylethyl)pyrrole-2-carboxamide (CID 36646719) is 1-methyl-4-nitro-N-(2-quinolin-8-ylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-nitro-N-(2-quinolin-8-ylethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-nitro-N-(2-quinolin-8-ylethyl)pyrrole-2-carboxamide is Cn1cc([N+](=O)[O-])cc1C(=O)NCCc1cccc2cccnc12.
What is the InChIKey of 1-methyl-4-nitro-N-(2-quinolin-8-ylethyl)pyrrole-2-carboxamide?
The InChIKey is KZRNAGZYDRYDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-20-11-14(21(23)24)10-15(20)17(22)19-9-7-13-5-2-4-12-6-3-8-18-16(12)13/h2-6,8,10-11H,7,9H2,1H3,(H,19,22).
What are the key properties of 1-methyl-4-nitro-N-(2-quinolin-8-ylethyl)pyrrole-2-carboxamide?
1-methyl-4-nitro-N-(2-quinolin-8-ylethyl)pyrrole-2-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-nitro-N-(2-quinolin-8-ylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 36646719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).