N-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-nitrobenzamide

C19H16N4O4 — CID 18859307

IUPACN-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-nitrobenzamide
SMILESCOc1ccc2cc3c(nc2c1)N(NC(=O)c1ccc([N+](=O)[O-])cc1)CC3
InChIInChI=1S/C19H16N4O4/c1-27-16-7-4-13-10-14-8-9-22(18(14)20-17(13)11-16)21-19(24)12-2-5-15(6-3-12)23(25)26/h2-7,10-11H,8-9H2,1H3,(H,21,24)
InChIKeyQVYACFDMSJRKSV-UHFFFAOYSA-N
MW364.36 g/mol
LogP2.86
Rot. Bonds4

About N-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-nitrobenzamide

N-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-nitrobenzamide (PubChem CID 18859307) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is N-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-nitrobenzamide
PubChem CID18859307
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC NameN-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-nitrobenzamide
SMILESCOc1ccc2cc3c(nc2c1)N(NC(=O)c1ccc([N+](=O)[O-])cc1)CC3
InChIInChI=1S/C19H16N4O4/c1-27-16-7-4-13-10-14-8-9-22(18(14)20-17(13)11-16)21-19(24)12-2-5-15(6-3-12)23(25)26/h2-7,10-11H,8-9H2,1H3,(H,21,24)
InChIKeyQVYACFDMSJRKSV-UHFFFAOYSA-N
XLogP2.86
TPSA97.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-nitrobenzamide 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

2-[(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)carbamoyl]benzoic acid
CID 18859318
N-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)furan-2-carboxamide
CID 4906431
4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(6-nitro-1,3-benzodioxol-5-yl)benzamide
CID 18859292
N-(4-iodophenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
CID 18859249
methyl 4-[[4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzoyl]amino]benzoate
CID 18859254
(3,4-dimethoxyphenyl)-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone
CID 20996440
4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 18859300
N-(2,5-dimethylphenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
CID 18859194
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
CID 18859173
N-(5-chloro-2-pyridinyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
CID 18859231
N-(4-chloro-2-methylphenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
CID 18859191
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-nitrobenzamide
CID 7937122

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-nitrobenzamide?
The IUPAC name of N-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-nitrobenzamide (CID 18859307) is N-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-nitrobenzamide.
What is the SMILES notation for N-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-nitrobenzamide?
The canonical SMILES for N-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-nitrobenzamide is COc1ccc2cc3c(nc2c1)N(NC(=O)c1ccc([N+](=O)[O-])cc1)CC3.
What is the InChIKey of N-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-nitrobenzamide?
The InChIKey is QVYACFDMSJRKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c1-27-16-7-4-13-10-14-8-9-22(18(14)20-17(13)11-16)21-19(24)12-2-5-15(6-3-12)23(25)26/h2-7,10-11H,8-9H2,1H3,(H,21,24).
What are the key properties of N-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-nitrobenzamide?
N-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-nitrobenzamide has a molecular weight of 364.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-nitrobenzamide is sourced from PubChem (CID 18859307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).