1-methyl-5-nitro-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrrole-2-carboxamide

C15H16N4O3 — CID 119547379

IUPAC1-methyl-5-nitro-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrrole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc3c(c2)CCCN3)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H16N4O3/c1-18-13(6-7-14(18)19(21)22)15(20)17-11-4-5-12-10(9-11)3-2-8-16-12/h4-7,9,16H,2-3,8H2,1H3,(H,17,20)
InChIKeyRSLBWUTUZXRGOF-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.54
Rot. Bonds3

About 1-methyl-5-nitro-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrrole-2-carboxamide

1-methyl-5-nitro-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrrole-2-carboxamide (PubChem CID 119547379) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 1-methyl-5-nitro-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-5-nitro-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrrole-2-carboxamide
PubChem CID119547379
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name1-methyl-5-nitro-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrrole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc3c(c2)CCCN3)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H16N4O3/c1-18-13(6-7-14(18)19(21)22)15(20)17-11-4-5-12-10(9-11)3-2-8-16-12/h4-7,9,16H,2-3,8H2,1H3,(H,17,20)
InChIKeyRSLBWUTUZXRGOF-UHFFFAOYSA-N
XLogP2.54
TPSA89.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
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-5-nitro-N-(1,2,3,4-tetrahydroquinolin-6-yl)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-5-nitro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrole-2-carboxamide;hydrochloride
CID 119581212
1,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide
CID 63928927
5-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboxamide
CID 63283038
1,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrazole-4-carboxamide;hydrochloride
CID 119547166
2,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide;hydrochloride
CID 119547274
N-(3-ethynylphenyl)-1-methyl-5-nitropyrrole-2-carboxamide
CID 60714275
N-(4-methyl-3-nitrophenyl)-1,2,3,4-tetrahydroquinolin-6-amine
CID 63283095
N-[4-(2-chloroethyl)phenyl]-1-methyl-5-nitropyrrole-2-carboxamide
CID 114299129
N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,2-oxazole-5-carboxamide
CID 63282573
5-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrazine-2-carboxamide;dihydrochloride
CID 119547211
5-bromo-2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 65311484
2,4-dichloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 63283086

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-nitro-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-5-nitro-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrrole-2-carboxamide (CID 119547379) is 1-methyl-5-nitro-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-5-nitro-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-5-nitro-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrrole-2-carboxamide is Cn1c(C(=O)Nc2ccc3c(c2)CCCN3)ccc1[N+](=O)[O-].
What is the InChIKey of 1-methyl-5-nitro-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrrole-2-carboxamide?
The InChIKey is RSLBWUTUZXRGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-18-13(6-7-14(18)19(21)22)15(20)17-11-4-5-12-10(9-11)3-2-8-16-12/h4-7,9,16H,2-3,8H2,1H3,(H,17,20).
What are the key properties of 1-methyl-5-nitro-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrrole-2-carboxamide?
1-methyl-5-nitro-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrrole-2-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-nitro-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 119547379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).