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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Related Compounds

L-745870
CID 5311200
4-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-amine
CID 17751819
PF-06447475
CID 72706840
6-Chloro-N-Cyclohexyl-4-(1h-Pyrrolo[2,3-B]pyridin-3-Yl)pyridin-2-Amine
CID 49843482
1-(4-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methanamine
CID 11696113
1-(4-(4-chlorophenyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methanamine
CID 24762195
Prosetin
CID 154677753
Spiro(3H-indole-3,4'-piperidine), 5-chloro-1,2-dihydro-1-(1H-pyrrolo(2,3-d)pyrimidin-4-yl)-
CID 11702853
Pyrrolopyrimidine, 13g
CID 11995746
4-[5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
CID 72706586
N-[1-[5-(3-Chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-piperidinyl]acetamide
CID 162366980
4-Chloro-5,7-diphenyl-7H-pyrrolo[2,3-d]pyrimidine
CID 2049536

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).