1,2-diphenyl-5,6,7,8-tetrahydropyrrolo[2,3-b]quinolin-4-amine

C23H21N3 — CID 56649564

IUPAC1,2-diphenyl-5,6,7,8-tetrahydropyrrolo[2,3-b]quinolin-4-amine
SMILESNc1c2c(nc3c1cc(-c1ccccc1)n3-c1ccccc1)CCCC2
InChIInChI=1S/C23H21N3/c24-22-18-13-7-8-14-20(18)25-23-19(22)15-21(16-9-3-1-4-10-16)26(23)17-11-5-2-6-12-17/h1-6,9-12,15H,7-8,13-14H2,(H2,24,25)
InChIKeyVRGOOLXPHWCIIA-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.15
Rot. Bonds2

About 1,2-diphenyl-5,6,7,8-tetrahydropyrrolo[2,3-b]quinolin-4-amine

1,2-diphenyl-5,6,7,8-tetrahydropyrrolo[2,3-b]quinolin-4-amine (PubChem CID 56649564) has the molecular formula C23H21N3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1,2-diphenyl-5,6,7,8-tetrahydropyrrolo[2,3-b]quinolin-4-amine.

Molecular Properties

Compound Name1,2-diphenyl-5,6,7,8-tetrahydropyrrolo[2,3-b]quinolin-4-amine
PubChem CID56649564
Molecular FormulaC23H21N3
Molecular Weight339.44 g/mol
Exact Mass339.17
IUPAC Name1,2-diphenyl-5,6,7,8-tetrahydropyrrolo[2,3-b]quinolin-4-amine
SMILESNc1c2c(nc3c1cc(-c1ccccc1)n3-c1ccccc1)CCCC2
InChIInChI=1S/C23H21N3/c24-22-18-13-7-8-14-20(18)25-23-19(22)15-21(16-9-3-1-4-10-16)26(23)17-11-5-2-6-12-17/h1-6,9-12,15H,7-8,13-14H2,(H2,24,25)
InChIKeyVRGOOLXPHWCIIA-UHFFFAOYSA-N
XLogP5.15
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-5,6,7,8-tetrahydropyrrolo[2,3-b]quinolin-4-amine?
The IUPAC name of 1,2-diphenyl-5,6,7,8-tetrahydropyrrolo[2,3-b]quinolin-4-amine (CID 56649564) is 1,2-diphenyl-5,6,7,8-tetrahydropyrrolo[2,3-b]quinolin-4-amine.
What is the SMILES notation for 1,2-diphenyl-5,6,7,8-tetrahydropyrrolo[2,3-b]quinolin-4-amine?
The canonical SMILES for 1,2-diphenyl-5,6,7,8-tetrahydropyrrolo[2,3-b]quinolin-4-amine is Nc1c2c(nc3c1cc(-c1ccccc1)n3-c1ccccc1)CCCC2.
What is the InChIKey of 1,2-diphenyl-5,6,7,8-tetrahydropyrrolo[2,3-b]quinolin-4-amine?
The InChIKey is VRGOOLXPHWCIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3/c24-22-18-13-7-8-14-20(18)25-23-19(22)15-21(16-9-3-1-4-10-16)26(23)17-11-5-2-6-12-17/h1-6,9-12,15H,7-8,13-14H2,(H2,24,25).
What are the key properties of 1,2-diphenyl-5,6,7,8-tetrahydropyrrolo[2,3-b]quinolin-4-amine?
1,2-diphenyl-5,6,7,8-tetrahydropyrrolo[2,3-b]quinolin-4-amine has a molecular weight of 339.44 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-5,6,7,8-tetrahydropyrrolo[2,3-b]quinolin-4-amine is sourced from PubChem (CID 56649564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).