[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-chlorophenyl)methanone

C20H16Cl2N2O — CID 84558810

IUPAC[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C20H16Cl2N2O/c21-15-3-1-2-14(10-15)20(25)24-8-6-13(7-9-24)18-12-23-19-5-4-16(22)11-17(18)19/h1-6,10-12,23H,7-9H2
InChIKeyNWTOPNKMGJYWSV-UHFFFAOYSA-N
MW371.27 g/mol
LogP5.40
Rot. Bonds2

About [4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-chlorophenyl)methanone

[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-chlorophenyl)methanone (PubChem CID 84558810) has the molecular formula C20H16Cl2N2O and a molecular weight of 371.27 g/mol. Its IUPAC name is [4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-chlorophenyl)methanone
PubChem CID84558810
Molecular FormulaC20H16Cl2N2O
Molecular Weight371.27 g/mol
Exact Mass370.06
IUPAC Name[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C20H16Cl2N2O/c21-15-3-1-2-14(10-15)20(25)24-8-6-13(7-9-24)18-12-23-19-5-4-16(22)11-17(18)19/h1-6,10-12,23H,7-9H2
InChIKeyNWTOPNKMGJYWSV-UHFFFAOYSA-N
XLogP5.40
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.27
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-fluorophenyl)methanone
CID 84559915
(3-bromophenyl)-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 84558955
[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-fluorophenyl)methanone
CID 113087091
[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-methylphenyl)methanone
CID 113087088
[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-fluorophenyl)methanone
CID 113086869
1,3-benzodioxol-5-yl-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 84558615
[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-methylphenyl)methanone
CID 113086866
(5-bromofuran-2-yl)-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 84559004
tert-butyl 4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 12072032
1-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-methylphenyl)ethanone
CID 113086953
1-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenoxyethanone
CID 84559832
[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-pyridin-3-ylmethanone
CID 113086895

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-chlorophenyl)methanone?
The IUPAC name of [4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-chlorophenyl)methanone (CID 84558810) is [4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-chlorophenyl)methanone.
What is the SMILES notation for [4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-chlorophenyl)methanone?
The canonical SMILES for [4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-chlorophenyl)methanone is O=C(c1cccc(Cl)c1)N1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1.
What is the InChIKey of [4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-chlorophenyl)methanone?
The InChIKey is NWTOPNKMGJYWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O/c21-15-3-1-2-14(10-15)20(25)24-8-6-13(7-9-24)18-12-23-19-5-4-16(22)11-17(18)19/h1-6,10-12,23H,7-9H2.
What are the key properties of [4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-chlorophenyl)methanone?
[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-chlorophenyl)methanone has a molecular weight of 371.27 g/mol, XLogP of 5.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-chlorophenyl)methanone is sourced from PubChem (CID 84558810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).