N-(2,4-dibromophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

C19H14Br2N2O — CID 21203854

IUPACN-(2,4-dibromophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESO=C(Nc1ccc(Br)cc1Br)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C19H14Br2N2O/c20-11-8-9-17(14(21)10-11)23-19(24)18-12-4-1-2-6-15(12)22-16-7-3-5-13(16)18/h1-2,4,6,8-10H,3,5,7H2,(H,23,24)
InChIKeyWLFOUFPEHSOWNL-UHFFFAOYSA-N
MW446.14 g/mol
LogP5.50
Rot. Bonds2

About N-(2,4-dibromophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

N-(2,4-dibromophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (PubChem CID 21203854) has the molecular formula C19H14Br2N2O and a molecular weight of 446.14 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
PubChem CID21203854
Molecular FormulaC19H14Br2N2O
Molecular Weight446.14 g/mol
Exact Mass443.95
IUPAC NameN-(2,4-dibromophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESO=C(Nc1ccc(Br)cc1Br)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C19H14Br2N2O/c20-11-8-9-17(14(21)10-11)23-19(24)18-12-4-1-2-6-15(12)22-16-7-3-5-13(16)18/h1-2,4,6,8-10H,3,5,7H2,(H,23,24)
InChIKeyWLFOUFPEHSOWNL-UHFFFAOYSA-N
XLogP5.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.14
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,4-dibromoanilino)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 23913819
N-(2,4-difluorophenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 9247827
N-phenyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 775717
N-(2,4-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 862181
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
CID 14385689
N-(3-chloro-2-fluorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 29452933
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 3678676
methyl 4-chloro-3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)benzoate
CID 55338596
(2S)-N-(4-bromo-2-fluorophenyl)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 2094922
1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate
CID 16667447
[2-(2-bromo-4-methylanilino)-2-oxoethyl] 6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylate
CID 23857980
N-(3-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 862180

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The IUPAC name of N-(2,4-dibromophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (CID 21203854) is N-(2,4-dibromophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The canonical SMILES for N-(2,4-dibromophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is O=C(Nc1ccc(Br)cc1Br)c1c2c(nc3ccccc13)CCC2.
What is the InChIKey of N-(2,4-dibromophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The InChIKey is WLFOUFPEHSOWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Br2N2O/c20-11-8-9-17(14(21)10-11)23-19(24)18-12-4-1-2-6-15(12)22-16-7-3-5-13(16)18/h1-2,4,6,8-10H,3,5,7H2,(H,23,24).
What are the key properties of N-(2,4-dibromophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
N-(2,4-dibromophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide has a molecular weight of 446.14 g/mol, XLogP of 5.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 21203854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).