3-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-1-methylpyrrolo[3,2-b]quinoline

C29H22N4O2 — CID 118707959

IUPAC3-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-1-methylpyrrolo[3,2-b]quinoline
SMILESCOc1ccc(-c2nccnc2Oc2ccc(-c3cn(C)c4cc5ccccc5nc34)cc2)cc1
InChIInChI=1S/C29H22N4O2/c1-33-18-24(28-26(33)17-21-5-3-4-6-25(21)32-28)19-7-13-23(14-8-19)35-29-27(30-15-16-31-29)20-9-11-22(34-2)12-10-20/h3-18H,1-2H3
InChIKeySNLHJGCQMZLJQV-UHFFFAOYSA-N
MW458.52 g/mol
LogP6.65
Rot. Bonds5

About 3-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-1-methylpyrrolo[3,2-b]quinoline

3-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-1-methylpyrrolo[3,2-b]quinoline (PubChem CID 118707959) has the molecular formula C29H22N4O2 and a molecular weight of 458.52 g/mol. Its IUPAC name is 3-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-1-methylpyrrolo[3,2-b]quinoline.

Molecular Properties

Compound Name3-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-1-methylpyrrolo[3,2-b]quinoline
PubChem CID118707959
Molecular FormulaC29H22N4O2
Molecular Weight458.52 g/mol
Exact Mass458.17
IUPAC Name3-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-1-methylpyrrolo[3,2-b]quinoline
SMILESCOc1ccc(-c2nccnc2Oc2ccc(-c3cn(C)c4cc5ccccc5nc34)cc2)cc1
InChIInChI=1S/C29H22N4O2/c1-33-18-24(28-26(33)17-21-5-3-4-6-25(21)32-28)19-7-13-23(14-8-19)35-29-27(30-15-16-31-29)20-9-11-22(34-2)12-10-20/h3-18H,1-2H3
InChIKeySNLHJGCQMZLJQV-UHFFFAOYSA-N
XLogP6.65
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-1-methylpyrrolo[3,2-b]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-((4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CID 11581936
2-{4-[4-Pyridin-4-YL-1-(2,2,2-trifluoro-ethyl)-1H-pyrazol-3-YL]-phenoxymethyl}-quinoline
CID 11648276
2-[4-(1-Ethyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11682906
(1S)-1-(1H-Indol-3-ylmethyl)-2-(2-pyridin-4-YL-[1,7]naphtyridin-5-yloxy)-ehylamine
CID 6914614
N-butylharmine
CID 486624
YoYo-1
CID 6438136
2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoxaline
CID 11545641
2-[4-(2-Ethyl-4-pyridin-4-yl-2H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11661426
2-[(4-(2-Methyl-4-(pyridin-4-yl)-2H-pyrazol-3-yl)phenoxy)methyl]quinoline
CID 11668304
6-{5-[(2S)-2-amino-3-(1-methyl-1H-indol-3-yl)propoxy]pyridin-3-yl}isoquinoline
CID 23646996
4-Methoxy-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11604203
6-Fluoro-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 11669507

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-1-methylpyrrolo[3,2-b]quinoline?
The IUPAC name of 3-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-1-methylpyrrolo[3,2-b]quinoline (CID 118707959) is 3-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-1-methylpyrrolo[3,2-b]quinoline.
What is the SMILES notation for 3-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-1-methylpyrrolo[3,2-b]quinoline?
The canonical SMILES for 3-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-1-methylpyrrolo[3,2-b]quinoline is COc1ccc(-c2nccnc2Oc2ccc(-c3cn(C)c4cc5ccccc5nc34)cc2)cc1.
What is the InChIKey of 3-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-1-methylpyrrolo[3,2-b]quinoline?
The InChIKey is SNLHJGCQMZLJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N4O2/c1-33-18-24(28-26(33)17-21-5-3-4-6-25(21)32-28)19-7-13-23(14-8-19)35-29-27(30-15-16-31-29)20-9-11-22(34-2)12-10-20/h3-18H,1-2H3.
What are the key properties of 3-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-1-methylpyrrolo[3,2-b]quinoline?
3-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-1-methylpyrrolo[3,2-b]quinoline has a molecular weight of 458.52 g/mol, XLogP of 6.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-1-methylpyrrolo[3,2-b]quinoline is sourced from PubChem (CID 118707959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).