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

C21H20N2O3 — CID 862181

IUPACN-(2,4-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESCOc1ccc(NC(=O)c2c3c(nc4ccccc24)CCC3)c(OC)c1
InChIInChI=1S/C21H20N2O3/c1-25-13-10-11-18(19(12-13)26-2)23-21(24)20-14-6-3-4-8-16(14)22-17-9-5-7-15(17)20/h3-4,6,8,10-12H,5,7,9H2,1-2H3,(H,23,24)
InChIKeyHPFOZUBWVJCBBX-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.99
Rot. Bonds4

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

N-(2,4-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (PubChem CID 862181) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
PubChem CID862181
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-(2,4-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESCOc1ccc(NC(=O)c2c3c(nc4ccccc24)CCC3)c(OC)c1
InChIInChI=1S/C21H20N2O3/c1-25-13-10-11-18(19(12-13)26-2)23-21(24)20-14-6-3-4-8-16(14)22-17-9-5-7-15(17)20/h3-4,6,8,10-12H,5,7,9H2,1-2H3,(H,23,24)
InChIKeyHPFOZUBWVJCBBX-UHFFFAOYSA-N
XLogP3.99
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 862180
N-(2-methoxy-5-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 51180022
methyl 4-chloro-3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)benzoate
CID 55338596
N-(2,4-dibromophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 21203854
(4-methoxyphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 21239887
N-(2,4-dimethoxyphenyl)-3-phenylcinnoline-4-carboxamide
CID 46287961
N-(4-ethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 2314335
N-(2,4-difluorophenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 9247827
N-phenyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 775717
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 5014677
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 4875065
methyl 4-(1,2,3,4-tetrahydroacridine-9-carbonylamino)benzoate
CID 9247815

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (CID 862181) is N-(2,4-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is COc1ccc(NC(=O)c2c3c(nc4ccccc24)CCC3)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The InChIKey is HPFOZUBWVJCBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-25-13-10-11-18(19(12-13)26-2)23-21(24)20-14-6-3-4-8-16(14)22-17-9-5-7-15(17)20/h3-4,6,8,10-12H,5,7,9H2,1-2H3,(H,23,24).
What are the key properties of N-(2,4-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
N-(2,4-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 862181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).