1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline

C27H19N5O — CID 118707960

IUPAC1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline
SMILESCn1cc(-c2ccc(Oc3nccnc3-c3ccncc3)cc2)c2nc3ccccc3cc21
InChIInChI=1S/C27H19N5O/c1-32-17-22(26-24(32)16-20-4-2-3-5-23(20)31-26)18-6-8-21(9-7-18)33-27-25(29-14-15-30-27)19-10-12-28-13-11-19/h2-17H,1H3
InChIKeyGPWJHAOLOAZQJW-UHFFFAOYSA-N
MW429.48 g/mol
LogP6.04
Rot. Bonds4

About 1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline

1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline (PubChem CID 118707960) has the molecular formula C27H19N5O and a molecular weight of 429.48 g/mol. Its IUPAC name is 1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline.

Molecular Properties

Compound Name1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline
PubChem CID118707960
Molecular FormulaC27H19N5O
Molecular Weight429.48 g/mol
Exact Mass429.16
IUPAC Name1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline
SMILESCn1cc(-c2ccc(Oc3nccnc3-c3ccncc3)cc2)c2nc3ccccc3cc21
InChIInChI=1S/C27H19N5O/c1-32-17-22(26-24(32)16-20-4-2-3-5-23(20)31-26)18-6-8-21(9-7-18)33-27-25(29-14-15-30-27)19-10-12-28-13-11-19/h2-17H,1H3
InChIKeyGPWJHAOLOAZQJW-UHFFFAOYSA-N
XLogP6.04
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.48
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline?
The IUPAC name of 1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline (CID 118707960) is 1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline.
What is the SMILES notation for 1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline?
The canonical SMILES for 1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline is Cn1cc(-c2ccc(Oc3nccnc3-c3ccncc3)cc2)c2nc3ccccc3cc21.
What is the InChIKey of 1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline?
The InChIKey is GPWJHAOLOAZQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N5O/c1-32-17-22(26-24(32)16-20-4-2-3-5-23(20)31-26)18-6-8-21(9-7-18)33-27-25(29-14-15-30-27)19-10-12-28-13-11-19/h2-17H,1H3.
What are the key properties of 1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline?
1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline has a molecular weight of 429.48 g/mol, XLogP of 6.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline is sourced from PubChem (CID 118707960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).