9-chloro-N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide

C20H16ClN3O3 — CID 46257991

IUPAC9-chloro-N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
SMILESCc1c(NC(=O)c2ccc3c(Cl)c4c(nc3c2)CCC4)cccc1[N+](=O)[O-]
InChIInChI=1S/C20H16ClN3O3/c1-11-15(5-3-7-18(11)24(26)27)23-20(25)12-8-9-14-17(10-12)22-16-6-2-4-13(16)19(14)21/h3,5,7-10H,2,4,6H2,1H3,(H,23,25)
InChIKeyAVYDUTFTIGDRKG-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.85
Rot. Bonds3

About 9-chloro-N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide

9-chloro-N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide (PubChem CID 46257991) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is 9-chloro-N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide.

Molecular Properties

Compound Name9-chloro-N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
PubChem CID46257991
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC Name9-chloro-N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
SMILESCc1c(NC(=O)c2ccc3c(Cl)c4c(nc3c2)CCC4)cccc1[N+](=O)[O-]
InChIInChI=1S/C20H16ClN3O3/c1-11-15(5-3-7-18(11)24(26)27)23-20(25)12-8-9-14-17(10-12)22-16-6-2-4-13(16)19(14)21/h3,5,7-10H,2,4,6H2,1H3,(H,23,25)
InChIKeyAVYDUTFTIGDRKG-UHFFFAOYSA-N
XLogP4.85
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.85
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

N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 46809389
N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9011538
9-chloro-N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46256306
N-(3-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 12004933
3-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 4111070
3-bromo-4-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 103841663
6-chloro-N-(2-methyl-3-nitrophenyl)pyridine-3-carboxamide
CID 9395574
ethyl 4-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]benzoate
CID 46256310
9-chloro-N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
CID 46257955
N-(2-methyl-3-nitrophenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 26796727
N-(2-methyl-3-nitrophenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103763240
9-chloro-N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 6619703

Frequently Asked Questions

What is the IUPAC name of 9-chloro-N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
The IUPAC name of 9-chloro-N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide (CID 46257991) is 9-chloro-N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide.
What is the SMILES notation for 9-chloro-N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
The canonical SMILES for 9-chloro-N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide is Cc1c(NC(=O)c2ccc3c(Cl)c4c(nc3c2)CCC4)cccc1[N+](=O)[O-].
What is the InChIKey of 9-chloro-N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
The InChIKey is AVYDUTFTIGDRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c1-11-15(5-3-7-18(11)24(26)27)23-20(25)12-8-9-14-17(10-12)22-16-6-2-4-13(16)19(14)21/h3,5,7-10H,2,4,6H2,1H3,(H,23,25).
What are the key properties of 9-chloro-N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
9-chloro-N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide has a molecular weight of 381.82 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide is sourced from PubChem (CID 46257991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).