N-(2-methoxy-5-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

C20H17N3O4 — CID 51180022

IUPACN-(2-methoxy-5-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C20H17N3O4/c1-27-18-10-9-12(23(25)26)11-17(18)22-20(24)19-13-5-2-3-7-15(13)21-16-8-4-6-14(16)19/h2-3,5,7,9-11H,4,6,8H2,1H3,(H,22,24)
InChIKeyMYPILSSSPKWUAC-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.89
Rot. Bonds4

About N-(2-methoxy-5-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

N-(2-methoxy-5-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (PubChem CID 51180022) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
PubChem CID51180022
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC NameN-(2-methoxy-5-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C20H17N3O4/c1-27-18-10-9-12(23(25)26)11-17(18)22-20(24)19-13-5-2-3-7-15(13)21-16-8-4-6-14(16)19/h2-3,5,7,9-11H,4,6,8H2,1H3,(H,22,24)
InChIKeyMYPILSSSPKWUAC-UHFFFAOYSA-N
XLogP3.89
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.89
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'}

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Related Compounds

[(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 40944031
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 5014677
N-(2,4-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 862181
[1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 46795426
methyl 4-chloro-3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)benzoate
CID 55338596
N'-(4-nitrophenyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carbohydrazide
CID 21205834
N-(2-methoxy-5-nitrophenyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 5219745
N-(2,4-dibromophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 21203854
2-ethyl-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108804826
2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)quinoline-4-carboxamide
CID 4196930
4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212
N-phenyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 775717

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (CID 51180022) is N-(2-methoxy-5-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)c1c2c(nc3ccccc13)CCC2.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The InChIKey is MYPILSSSPKWUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-27-18-10-9-12(23(25)26)11-17(18)22-20(24)19-13-5-2-3-7-15(13)21-16-8-4-6-14(16)19/h2-3,5,7,9-11H,4,6,8H2,1H3,(H,22,24).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
N-(2-methoxy-5-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide has a molecular weight of 363.37 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 51180022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).