4-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]morpholine

C17H16ClN3O — CID 118190100

IUPAC4-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]morpholine
SMILESClc1cccc(-c2c[nH]c3nccc(N4CCOCC4)c23)c1
InChIInChI=1S/C17H16ClN3O/c18-13-3-1-2-12(10-13)14-11-20-17-16(14)15(4-5-19-17)21-6-8-22-9-7-21/h1-5,10-11H,6-9H2,(H,19,20)
InChIKeyQMQJFRBEIOAQNT-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.72
Rot. Bonds2

About 4-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]morpholine

4-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]morpholine (PubChem CID 118190100) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 4-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]morpholine.

Molecular Properties

Compound Name4-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]morpholine
PubChem CID118190100
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name4-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]morpholine
SMILESClc1cccc(-c2c[nH]c3nccc(N4CCOCC4)c23)c1
InChIInChI=1S/C17H16ClN3O/c18-13-3-1-2-12(10-13)14-11-20-17-16(14)15(4-5-19-17)21-6-8-22-9-7-21/h1-5,10-11H,6-9H2,(H,19,20)
InChIKeyQMQJFRBEIOAQNT-UHFFFAOYSA-N
XLogP3.72
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]morpholine?
The IUPAC name of 4-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]morpholine (CID 118190100) is 4-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]morpholine.
What is the SMILES notation for 4-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]morpholine?
The canonical SMILES for 4-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]morpholine is Clc1cccc(-c2c[nH]c3nccc(N4CCOCC4)c23)c1.
What is the InChIKey of 4-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]morpholine?
The InChIKey is QMQJFRBEIOAQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c18-13-3-1-2-12(10-13)14-11-20-17-16(14)15(4-5-19-17)21-6-8-22-9-7-21/h1-5,10-11H,6-9H2,(H,19,20).
What are the key properties of 4-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]morpholine?
4-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]morpholine has a molecular weight of 313.79 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]morpholine is sourced from PubChem (CID 118190100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).