6,7-dichloro-9-methylidene-1,2,3,4-tetrahydrocyclopenta[b]quinoline-3-carboxamide

C14H12Cl2N2O — CID 89210113

IUPAC6,7-dichloro-9-methylidene-1,2,3,4-tetrahydrocyclopenta[b]quinoline-3-carboxamide
SMILESC=C1C2=C(Nc3cc(Cl)c(Cl)cc31)C(C(N)=O)CC2
InChIInChI=1S/C14H12Cl2N2O/c1-6-7-2-3-8(14(17)19)13(7)18-12-5-11(16)10(15)4-9(6)12/h4-5,8,18H,1-3H2,(H2,17,19)
InChIKeyIKHJLBFSEIHDRJ-UHFFFAOYSA-N
MW295.17 g/mol
LogP3.58
Rot. Bonds1

About 6,7-dichloro-9-methylidene-1,2,3,4-tetrahydrocyclopenta[b]quinoline-3-carboxamide

6,7-dichloro-9-methylidene-1,2,3,4-tetrahydrocyclopenta[b]quinoline-3-carboxamide (PubChem CID 89210113) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is 6,7-dichloro-9-methylidene-1,2,3,4-tetrahydrocyclopenta[b]quinoline-3-carboxamide.

Molecular Properties

Compound Name6,7-dichloro-9-methylidene-1,2,3,4-tetrahydrocyclopenta[b]quinoline-3-carboxamide
PubChem CID89210113
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name6,7-dichloro-9-methylidene-1,2,3,4-tetrahydrocyclopenta[b]quinoline-3-carboxamide
SMILESC=C1C2=C(Nc3cc(Cl)c(Cl)cc31)C(C(N)=O)CC2
InChIInChI=1S/C14H12Cl2N2O/c1-6-7-2-3-8(14(17)19)13(7)18-12-5-11(16)10(15)4-9(6)12/h4-5,8,18H,1-3H2,(H2,17,19)
InChIKeyIKHJLBFSEIHDRJ-UHFFFAOYSA-N
XLogP3.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-9-methylidene-1,2,3,4-tetrahydrocyclopenta[b]quinoline-3-carboxamide?
The IUPAC name of 6,7-dichloro-9-methylidene-1,2,3,4-tetrahydrocyclopenta[b]quinoline-3-carboxamide (CID 89210113) is 6,7-dichloro-9-methylidene-1,2,3,4-tetrahydrocyclopenta[b]quinoline-3-carboxamide.
What is the SMILES notation for 6,7-dichloro-9-methylidene-1,2,3,4-tetrahydrocyclopenta[b]quinoline-3-carboxamide?
The canonical SMILES for 6,7-dichloro-9-methylidene-1,2,3,4-tetrahydrocyclopenta[b]quinoline-3-carboxamide is C=C1C2=C(Nc3cc(Cl)c(Cl)cc31)C(C(N)=O)CC2.
What is the InChIKey of 6,7-dichloro-9-methylidene-1,2,3,4-tetrahydrocyclopenta[b]quinoline-3-carboxamide?
The InChIKey is IKHJLBFSEIHDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c1-6-7-2-3-8(14(17)19)13(7)18-12-5-11(16)10(15)4-9(6)12/h4-5,8,18H,1-3H2,(H2,17,19).
What are the key properties of 6,7-dichloro-9-methylidene-1,2,3,4-tetrahydrocyclopenta[b]quinoline-3-carboxamide?
6,7-dichloro-9-methylidene-1,2,3,4-tetrahydrocyclopenta[b]quinoline-3-carboxamide has a molecular weight of 295.17 g/mol, XLogP of 3.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-9-methylidene-1,2,3,4-tetrahydrocyclopenta[b]quinoline-3-carboxamide is sourced from PubChem (CID 89210113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).