3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide

C20H14ClFN2O — CID 71898615

IUPAC3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
SMILESNC(=O)c1c2c(nc3ccccc13)C(=Cc1c(F)cccc1Cl)CC2
InChIInChI=1S/C20H14ClFN2O/c21-15-5-3-6-16(22)14(15)10-11-8-9-13-18(20(23)25)12-4-1-2-7-17(12)24-19(11)13/h1-7,10H,8-9H2,(H2,23,25)
InChIKeySTUAKQNRSBEADM-UHFFFAOYSA-N
MW352.80 g/mol
LogP4.61
Rot. Bonds2

About 3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide

3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide (PubChem CID 71898615) has the molecular formula C20H14ClFN2O and a molecular weight of 352.80 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
PubChem CID71898615
Molecular FormulaC20H14ClFN2O
Molecular Weight352.80 g/mol
Exact Mass352.08
IUPAC Name3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
SMILESNC(=O)c1c2c(nc3ccccc13)C(=Cc1c(F)cccc1Cl)CC2
InChIInChI=1S/C20H14ClFN2O/c21-15-5-3-6-16(22)14(15)10-11-8-9-13-18(20(23)25)12-4-1-2-7-17(12)24-19(11)13/h1-7,10H,8-9H2,(H2,23,25)
InChIKeySTUAKQNRSBEADM-UHFFFAOYSA-N
XLogP4.61
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.80
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide (CID 71898615) is 3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide is NC(=O)c1c2c(nc3ccccc13)C(=Cc1c(F)cccc1Cl)CC2.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
The InChIKey is STUAKQNRSBEADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN2O/c21-15-5-3-6-16(22)14(15)10-11-8-9-13-18(20(23)25)12-4-1-2-7-17(12)24-19(11)13/h1-7,10H,8-9H2,(H2,23,25).
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide has a molecular weight of 352.80 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 71898615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).