(3Z)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid

C20H13Cl2NO2 — CID 75409701

IUPAC(3Z)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
SMILESO=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)c(Cl)c1)CC2
InChIInChI=1S/C20H13Cl2NO2/c21-15-8-5-11(10-16(15)22)9-12-6-7-14-18(20(24)25)13-3-1-2-4-17(13)23-19(12)14/h1-5,8-10H,6-7H2,(H,24,25)/b12-9-
InChIKeySUQNGDIEEBYGGF-XFXZXTDPSA-N
MW370.24 g/mol
LogP5.73
Rot. Bonds2

About (3Z)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid

(3Z)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid (PubChem CID 75409701) has the molecular formula C20H13Cl2NO2 and a molecular weight of 370.24 g/mol. Its IUPAC name is (3Z)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid.

Molecular Properties

Compound Name(3Z)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
PubChem CID75409701
Molecular FormulaC20H13Cl2NO2
Molecular Weight370.24 g/mol
Exact Mass369.03
IUPAC Name(3Z)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
SMILESO=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)c(Cl)c1)CC2
InChIInChI=1S/C20H13Cl2NO2/c21-15-8-5-11(10-16(15)22)9-12-6-7-14-18(20(24)25)13-3-1-2-4-17(13)23-19(12)14/h1-5,8-10H,6-7H2,(H,24,25)/b12-9-
InChIKeySUQNGDIEEBYGGF-XFXZXTDPSA-N
XLogP5.73
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.24
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
CID 5009990
(4Z)-4-[(3,4-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 86767876
3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
CID 3665760
(4E)-4-[(4-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 6245839
4-[3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]morpholine-2-carboxamide
CID 76878568
(3E)-3-(thiophen-3-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
CID 8863644
4-[(4-hydroxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 3748703
(4E)-4-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 135591214
4-[(3-methylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 3377356
(4E)-4-[[4-(3,4-dichlorophenyl)phenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 171480887
5-[[1-[(3Z)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]piperidin-4-yl]-hydroxymethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 166347526
(4Z)-4-(pyridin-3-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 51109672

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
The IUPAC name of (3Z)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid (CID 75409701) is (3Z)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid.
What is the SMILES notation for (3Z)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
The canonical SMILES for (3Z)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid is O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)c(Cl)c1)CC2.
What is the InChIKey of (3Z)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
The InChIKey is SUQNGDIEEBYGGF-XFXZXTDPSA-N. The full InChI is InChI=1S/C20H13Cl2NO2/c21-15-8-5-11(10-16(15)22)9-12-6-7-14-18(20(24)25)13-3-1-2-4-17(13)23-19(12)14/h1-5,8-10H,6-7H2,(H,24,25)/b12-9-.
What are the key properties of (3Z)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
(3Z)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid has a molecular weight of 370.24 g/mol, XLogP of 5.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid is sourced from PubChem (CID 75409701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).