7-chloro-4-(2-chlorophenyl)-3-methylidene-2,4-dihydro-1H-quinoline

C16H13Cl2N — CID 135068239

IUPAC7-chloro-4-(2-chlorophenyl)-3-methylidene-2,4-dihydro-1H-quinoline
SMILESC=C1CNc2cc(Cl)ccc2C1c1ccccc1Cl
InChIInChI=1S/C16H13Cl2N/c1-10-9-19-15-8-11(17)6-7-13(15)16(10)12-4-2-3-5-14(12)18/h2-8,16,19H,1,9H2
InChIKeyUDMCPSULJRZMHF-UHFFFAOYSA-N
MW290.19 g/mol
LogP5.11
Rot. Bonds1

About 7-chloro-4-(2-chlorophenyl)-3-methylidene-2,4-dihydro-1H-quinoline

7-chloro-4-(2-chlorophenyl)-3-methylidene-2,4-dihydro-1H-quinoline (PubChem CID 135068239) has the molecular formula C16H13Cl2N and a molecular weight of 290.19 g/mol. Its IUPAC name is 7-chloro-4-(2-chlorophenyl)-3-methylidene-2,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name7-chloro-4-(2-chlorophenyl)-3-methylidene-2,4-dihydro-1H-quinoline
PubChem CID135068239
Molecular FormulaC16H13Cl2N
Molecular Weight290.19 g/mol
Exact Mass289.04
IUPAC Name7-chloro-4-(2-chlorophenyl)-3-methylidene-2,4-dihydro-1H-quinoline
SMILESC=C1CNc2cc(Cl)ccc2C1c1ccccc1Cl
InChIInChI=1S/C16H13Cl2N/c1-10-9-19-15-8-11(17)6-7-13(15)16(10)12-4-2-3-5-14(12)18/h2-8,16,19H,1,9H2
InChIKeyUDMCPSULJRZMHF-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.19
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(2-chlorophenyl)-3-methylidene-2,4-dihydro-1H-quinoline?
The IUPAC name of 7-chloro-4-(2-chlorophenyl)-3-methylidene-2,4-dihydro-1H-quinoline (CID 135068239) is 7-chloro-4-(2-chlorophenyl)-3-methylidene-2,4-dihydro-1H-quinoline.
What is the SMILES notation for 7-chloro-4-(2-chlorophenyl)-3-methylidene-2,4-dihydro-1H-quinoline?
The canonical SMILES for 7-chloro-4-(2-chlorophenyl)-3-methylidene-2,4-dihydro-1H-quinoline is C=C1CNc2cc(Cl)ccc2C1c1ccccc1Cl.
What is the InChIKey of 7-chloro-4-(2-chlorophenyl)-3-methylidene-2,4-dihydro-1H-quinoline?
The InChIKey is UDMCPSULJRZMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N/c1-10-9-19-15-8-11(17)6-7-13(15)16(10)12-4-2-3-5-14(12)18/h2-8,16,19H,1,9H2.
What are the key properties of 7-chloro-4-(2-chlorophenyl)-3-methylidene-2,4-dihydro-1H-quinoline?
7-chloro-4-(2-chlorophenyl)-3-methylidene-2,4-dihydro-1H-quinoline has a molecular weight of 290.19 g/mol, XLogP of 5.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(2-chlorophenyl)-3-methylidene-2,4-dihydro-1H-quinoline is sourced from PubChem (CID 135068239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).