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

C21H19ClN2O — CID 113086743

IUPAC(3-chlorophenyl)-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCn1cc(C2=CCN(C(=O)c3cccc(Cl)c3)CC2)c2ccccc21
InChIInChI=1S/C21H19ClN2O/c1-23-14-19(18-7-2-3-8-20(18)23)15-9-11-24(12-10-15)21(25)16-5-4-6-17(22)13-16/h2-9,13-14H,10-12H2,1H3
InChIKeyWRGXURFOBSMXRV-UHFFFAOYSA-N
MW350.85 g/mol
LogP4.76
Rot. Bonds2

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

(3-chlorophenyl)-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 113086743) has the molecular formula C21H19ClN2O and a molecular weight of 350.85 g/mol. Its IUPAC name is (3-chlorophenyl)-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID113086743
Molecular FormulaC21H19ClN2O
Molecular Weight350.85 g/mol
Exact Mass350.12
IUPAC Name(3-chlorophenyl)-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCn1cc(C2=CCN(C(=O)c3cccc(Cl)c3)CC2)c2ccccc21
InChIInChI=1S/C21H19ClN2O/c1-23-14-19(18-7-2-3-8-20(18)23)15-9-11-24(12-10-15)21(25)16-5-4-6-17(22)13-16/h2-9,13-14H,10-12H2,1H3
InChIKeyWRGXURFOBSMXRV-UHFFFAOYSA-N
XLogP4.76
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanone
CID 113086734
[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-chlorophenyl)methanone
CID 84558810
[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(oxan-4-yl)methanone
CID 113086764
[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-methylphenyl)methanone
CID 113087088
1-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 126806058
[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-fluorophenyl)methanone
CID 84559915
[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-fluorophenyl)methanone
CID 113087091
(3-bromophenyl)-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 84558955
(3-methylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38295435
(3,4-dichlorophenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 2568947
(3-chlorophenyl)-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)methanone
CID 112535736
(3-chlorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 141178418

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 113086743) is (3-chlorophenyl)-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone is Cn1cc(C2=CCN(C(=O)c3cccc(Cl)c3)CC2)c2ccccc21.
What is the InChIKey of (3-chlorophenyl)-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is WRGXURFOBSMXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O/c1-23-14-19(18-7-2-3-8-20(18)23)15-9-11-24(12-10-15)21(25)16-5-4-6-17(22)13-16/h2-9,13-14H,10-12H2,1H3.
What are the key properties of (3-chlorophenyl)-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
(3-chlorophenyl)-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 350.85 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 113086743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).