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

C20H17N3O3 — CID 46809389

IUPACN-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESCc1c(NC(=O)c2c3c(nc4ccccc24)CCC3)cccc1[N+](=O)[O-]
InChIInChI=1S/C20H17N3O3/c1-12-15(9-5-11-18(12)23(25)26)22-20(24)19-13-6-2-3-8-16(13)21-17-10-4-7-14(17)19/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,22,24)
InChIKeyLGPXUPXOOHHSNT-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.19
Rot. Bonds3

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

N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (PubChem CID 46809389) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
PubChem CID46809389
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESCc1c(NC(=O)c2c3c(nc4ccccc24)CCC3)cccc1[N+](=O)[O-]
InChIInChI=1S/C20H17N3O3/c1-12-15(9-5-11-18(12)23(25)26)22-20(24)19-13-6-2-3-8-16(13)21-17-10-4-7-14(17)19/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,22,24)
InChIKeyLGPXUPXOOHHSNT-UHFFFAOYSA-N
XLogP4.19
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

9-chloro-N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
CID 46257991
N-(2-methoxy-5-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 51180022
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 7440210
N-(3-chloro-2-fluorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 29452933
N-[(E)-(2-nitrophenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 6899931
N-phenyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 775717
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 9139184
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 55864343
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
CID 14385689
N-(2,4-dibromophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 21203854
(2-nitrophenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 9139192
N-(2,4-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 862181

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The IUPAC name of N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (CID 46809389) is N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.
What is the SMILES notation for N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The canonical SMILES for N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is Cc1c(NC(=O)c2c3c(nc4ccccc24)CCC3)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The InChIKey is LGPXUPXOOHHSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-12-15(9-5-11-18(12)23(25)26)22-20(24)19-13-6-2-3-8-16(13)21-17-10-4-7-14(17)19/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,22,24).
What are the key properties of N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 46809389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).