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

C23H18N4O — CID 90676350

IUPAC1-methyl-3-[(3-pyridin-4-yl-2-pyridinyl)oxymethyl]pyrrolo[3,2-b]quinoline
SMILESCn1cc(COc2ncccc2-c2ccncc2)c2nc3ccccc3cc21
InChIInChI=1S/C23H18N4O/c1-27-14-18(22-21(27)13-17-5-2-3-7-20(17)26-22)15-28-23-19(6-4-10-25-23)16-8-11-24-12-9-16/h2-14H,15H2,1H3
InChIKeyBVFVKGSNFARYLA-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.76
Rot. Bonds4

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

1-methyl-3-[(3-pyridin-4-yl-2-pyridinyl)oxymethyl]pyrrolo[3,2-b]quinoline (PubChem CID 90676350) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-methyl-3-[(3-pyridin-4-yl-2-pyridinyl)oxymethyl]pyrrolo[3,2-b]quinoline.

Molecular Properties

Compound Name1-methyl-3-[(3-pyridin-4-yl-2-pyridinyl)oxymethyl]pyrrolo[3,2-b]quinoline
PubChem CID90676350
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name1-methyl-3-[(3-pyridin-4-yl-2-pyridinyl)oxymethyl]pyrrolo[3,2-b]quinoline
SMILESCn1cc(COc2ncccc2-c2ccncc2)c2nc3ccccc3cc21
InChIInChI=1S/C23H18N4O/c1-27-14-18(22-21(27)13-17-5-2-3-7-20(17)26-22)15-28-23-19(6-4-10-25-23)16-8-11-24-12-9-16/h2-14H,15H2,1H3
InChIKeyBVFVKGSNFARYLA-UHFFFAOYSA-N
XLogP4.76
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3-pyridin-4-yl-2-pyridinyl)oxymethyl]pyrrolo[3,2-b]quinoline?
The IUPAC name of 1-methyl-3-[(3-pyridin-4-yl-2-pyridinyl)oxymethyl]pyrrolo[3,2-b]quinoline (CID 90676350) is 1-methyl-3-[(3-pyridin-4-yl-2-pyridinyl)oxymethyl]pyrrolo[3,2-b]quinoline.
What is the SMILES notation for 1-methyl-3-[(3-pyridin-4-yl-2-pyridinyl)oxymethyl]pyrrolo[3,2-b]quinoline?
The canonical SMILES for 1-methyl-3-[(3-pyridin-4-yl-2-pyridinyl)oxymethyl]pyrrolo[3,2-b]quinoline is Cn1cc(COc2ncccc2-c2ccncc2)c2nc3ccccc3cc21.
What is the InChIKey of 1-methyl-3-[(3-pyridin-4-yl-2-pyridinyl)oxymethyl]pyrrolo[3,2-b]quinoline?
The InChIKey is BVFVKGSNFARYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-27-14-18(22-21(27)13-17-5-2-3-7-20(17)26-22)15-28-23-19(6-4-10-25-23)16-8-11-24-12-9-16/h2-14H,15H2,1H3.
What are the key properties of 1-methyl-3-[(3-pyridin-4-yl-2-pyridinyl)oxymethyl]pyrrolo[3,2-b]quinoline?
1-methyl-3-[(3-pyridin-4-yl-2-pyridinyl)oxymethyl]pyrrolo[3,2-b]quinoline has a molecular weight of 366.42 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3-pyridin-4-yl-2-pyridinyl)oxymethyl]pyrrolo[3,2-b]quinoline is sourced from PubChem (CID 90676350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).