3-[5-(3-chlorophenyl)-3-pyridinyl]-1-ethyl-5-methoxyindole

C22H19ClN2O — CID 57258359

IUPAC3-[5-(3-chlorophenyl)-3-pyridinyl]-1-ethyl-5-methoxyindole
SMILESCCn1cc(-c2cncc(-c3cccc(Cl)c3)c2)c2cc(OC)ccc21
InChIInChI=1S/C22H19ClN2O/c1-3-25-14-21(20-11-19(26-2)7-8-22(20)25)17-9-16(12-24-13-17)15-5-4-6-18(23)10-15/h4-14H,3H2,1-2H3
InChIKeyKQZWPBRDXGQPOR-UHFFFAOYSA-N
MW362.86 g/mol
LogP6.05
Rot. Bonds4

About 3-[5-(3-chlorophenyl)-3-pyridinyl]-1-ethyl-5-methoxyindole

3-[5-(3-chlorophenyl)-3-pyridinyl]-1-ethyl-5-methoxyindole (PubChem CID 57258359) has the molecular formula C22H19ClN2O and a molecular weight of 362.86 g/mol. Its IUPAC name is 3-[5-(3-chlorophenyl)-3-pyridinyl]-1-ethyl-5-methoxyindole.

Molecular Properties

Compound Name3-[5-(3-chlorophenyl)-3-pyridinyl]-1-ethyl-5-methoxyindole
PubChem CID57258359
Molecular FormulaC22H19ClN2O
Molecular Weight362.86 g/mol
Exact Mass362.12
IUPAC Name3-[5-(3-chlorophenyl)-3-pyridinyl]-1-ethyl-5-methoxyindole
SMILESCCn1cc(-c2cncc(-c3cccc(Cl)c3)c2)c2cc(OC)ccc21
InChIInChI=1S/C22H19ClN2O/c1-3-25-14-21(20-11-19(26-2)7-8-22(20)25)17-9-16(12-24-13-17)15-5-4-6-18(23)10-15/h4-14H,3H2,1-2H3
InChIKeyKQZWPBRDXGQPOR-UHFFFAOYSA-N
XLogP6.05
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.86
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-(3-methoxyphenyl)pyridine
CID 173285153
3-(4-chlorophenyl)-8-methoxy-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline
CID 2135362
1-ethyl-5-methoxyindole-3-carbaldehyde
CID 3162229
3-(3-chlorophenyl)-1-(4-methoxyphenyl)-4-phenylpyrazole
CID 166447647
3-[5-(3-methoxyphenyl)-3-pyridinyl]-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine
CID 70126489
(1R)-N-[[1-ethyl-3-(3-methoxyphenyl)indol-5-yl]methyl]-1-naphthalen-1-ylethanamine
CID 58803173
4-chloro-3-[5-(3-chlorophenyl)-3-pyridinyl]-1-[(1-methylpiperidin-2-yl)methyl]indole
CID 54431040
8-methoxy-3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline
CID 2135011
3-[(3-chlorophenoxy)methyl]-1-ethylindol-5-ol
CID 117175592
5-benzyl-3-(4-ethoxyphenyl)-8-methoxypyrazolo[4,3-c]quinoline
CID 2135826
4-(3-chlorophenyl)-1-(4-ethoxyphenyl)pyrazole
CID 107958442
3-(3-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-amine
CID 83204335

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-chlorophenyl)-3-pyridinyl]-1-ethyl-5-methoxyindole?
The IUPAC name of 3-[5-(3-chlorophenyl)-3-pyridinyl]-1-ethyl-5-methoxyindole (CID 57258359) is 3-[5-(3-chlorophenyl)-3-pyridinyl]-1-ethyl-5-methoxyindole.
What is the SMILES notation for 3-[5-(3-chlorophenyl)-3-pyridinyl]-1-ethyl-5-methoxyindole?
The canonical SMILES for 3-[5-(3-chlorophenyl)-3-pyridinyl]-1-ethyl-5-methoxyindole is CCn1cc(-c2cncc(-c3cccc(Cl)c3)c2)c2cc(OC)ccc21.
What is the InChIKey of 3-[5-(3-chlorophenyl)-3-pyridinyl]-1-ethyl-5-methoxyindole?
The InChIKey is KQZWPBRDXGQPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O/c1-3-25-14-21(20-11-19(26-2)7-8-22(20)25)17-9-16(12-24-13-17)15-5-4-6-18(23)10-15/h4-14H,3H2,1-2H3.
What are the key properties of 3-[5-(3-chlorophenyl)-3-pyridinyl]-1-ethyl-5-methoxyindole?
3-[5-(3-chlorophenyl)-3-pyridinyl]-1-ethyl-5-methoxyindole has a molecular weight of 362.86 g/mol, XLogP of 6.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-chlorophenyl)-3-pyridinyl]-1-ethyl-5-methoxyindole is sourced from PubChem (CID 57258359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).