methyl 4-chloro-3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)benzoate

C21H17ClN2O3 — CID 55338596

IUPACmethyl 4-chloro-3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2c3c(nc4ccccc24)CCC3)c1
InChIInChI=1S/C21H17ClN2O3/c1-27-21(26)12-9-10-15(22)18(11-12)24-20(25)19-13-5-2-3-7-16(13)23-17-8-4-6-14(17)19/h2-3,5,7,9-11H,4,6,8H2,1H3,(H,24,25)
InChIKeyUOZZDCFKXPSULU-UHFFFAOYSA-N
MW380.83 g/mol
LogP4.42
Rot. Bonds3

About methyl 4-chloro-3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)benzoate

methyl 4-chloro-3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)benzoate (PubChem CID 55338596) has the molecular formula C21H17ClN2O3 and a molecular weight of 380.83 g/mol. Its IUPAC name is methyl 4-chloro-3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)benzoate
PubChem CID55338596
Molecular FormulaC21H17ClN2O3
Molecular Weight380.83 g/mol
Exact Mass380.09
IUPAC Namemethyl 4-chloro-3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2c3c(nc4ccccc24)CCC3)c1
InChIInChI=1S/C21H17ClN2O3/c1-27-21(26)12-9-10-15(22)18(11-12)24-20(25)19-13-5-2-3-7-16(13)23-17-8-4-6-14(17)19/h2-3,5,7,9-11H,4,6,8H2,1H3,(H,24,25)
InChIKeyUOZZDCFKXPSULU-UHFFFAOYSA-N
XLogP4.42
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-chloro-3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-(1,2,3,4-tetrahydroacridine-9-carbonylamino)benzoate
CID 9247815
N-(3-chloro-2-fluorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 29452933
N-(2,4-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 862181
N-(3-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 862180
N-(2,4-dibromophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 21203854
N-phenyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 775717
N-(2-methoxy-5-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 51180022
(4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2585220
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 23884896
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
CID 14385689
N-(2,4-difluorophenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 9247827
7-chloro-N-(2-hydroxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799537

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)benzoate?
The IUPAC name of methyl 4-chloro-3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)benzoate (CID 55338596) is methyl 4-chloro-3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)benzoate.
What is the SMILES notation for methyl 4-chloro-3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)benzoate?
The canonical SMILES for methyl 4-chloro-3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)benzoate is COC(=O)c1ccc(Cl)c(NC(=O)c2c3c(nc4ccccc24)CCC3)c1.
What is the InChIKey of methyl 4-chloro-3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)benzoate?
The InChIKey is UOZZDCFKXPSULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3/c1-27-21(26)12-9-10-15(22)18(11-12)24-20(25)19-13-5-2-3-7-16(13)23-17-8-4-6-14(17)19/h2-3,5,7,9-11H,4,6,8H2,1H3,(H,24,25).
What are the key properties of methyl 4-chloro-3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)benzoate?
methyl 4-chloro-3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)benzoate has a molecular weight of 380.83 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)benzoate is sourced from PubChem (CID 55338596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).