3-[[4-(4-fluorophenyl)pyrimidin-2-yl]oxymethyl]-1-methylpyrrolo[3,2-b]quinoline

C23H17FN4O — CID 90676349

IUPAC3-[[4-(4-fluorophenyl)pyrimidin-2-yl]oxymethyl]-1-methylpyrrolo[3,2-b]quinoline
SMILESCn1cc(COc2nccc(-c3ccc(F)cc3)n2)c2nc3ccccc3cc21
InChIInChI=1S/C23H17FN4O/c1-28-13-17(22-21(28)12-16-4-2-3-5-19(16)26-22)14-29-23-25-11-10-20(27-23)15-6-8-18(24)9-7-15/h2-13H,14H2,1H3
InChIKeyRKVINMIETUMNBI-UHFFFAOYSA-N
MW384.41 g/mol
LogP4.90
Rot. Bonds4

About 3-[[4-(4-fluorophenyl)pyrimidin-2-yl]oxymethyl]-1-methylpyrrolo[3,2-b]quinoline

3-[[4-(4-fluorophenyl)pyrimidin-2-yl]oxymethyl]-1-methylpyrrolo[3,2-b]quinoline (PubChem CID 90676349) has the molecular formula C23H17FN4O and a molecular weight of 384.41 g/mol. Its IUPAC name is 3-[[4-(4-fluorophenyl)pyrimidin-2-yl]oxymethyl]-1-methylpyrrolo[3,2-b]quinoline.

Molecular Properties

Compound Name3-[[4-(4-fluorophenyl)pyrimidin-2-yl]oxymethyl]-1-methylpyrrolo[3,2-b]quinoline
PubChem CID90676349
Molecular FormulaC23H17FN4O
Molecular Weight384.41 g/mol
Exact Mass384.14
IUPAC Name3-[[4-(4-fluorophenyl)pyrimidin-2-yl]oxymethyl]-1-methylpyrrolo[3,2-b]quinoline
SMILESCn1cc(COc2nccc(-c3ccc(F)cc3)n2)c2nc3ccccc3cc21
InChIInChI=1S/C23H17FN4O/c1-28-13-17(22-21(28)12-16-4-2-3-5-19(16)26-22)14-29-23-25-11-10-20(27-23)15-6-8-18(24)9-7-15/h2-13H,14H2,1H3
InChIKeyRKVINMIETUMNBI-UHFFFAOYSA-N
XLogP4.90
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-fluorophenyl)pyrimidin-2-yl]oxymethyl]-1-methylpyrrolo[3,2-b]quinoline?
The IUPAC name of 3-[[4-(4-fluorophenyl)pyrimidin-2-yl]oxymethyl]-1-methylpyrrolo[3,2-b]quinoline (CID 90676349) is 3-[[4-(4-fluorophenyl)pyrimidin-2-yl]oxymethyl]-1-methylpyrrolo[3,2-b]quinoline.
What is the SMILES notation for 3-[[4-(4-fluorophenyl)pyrimidin-2-yl]oxymethyl]-1-methylpyrrolo[3,2-b]quinoline?
The canonical SMILES for 3-[[4-(4-fluorophenyl)pyrimidin-2-yl]oxymethyl]-1-methylpyrrolo[3,2-b]quinoline is Cn1cc(COc2nccc(-c3ccc(F)cc3)n2)c2nc3ccccc3cc21.
What is the InChIKey of 3-[[4-(4-fluorophenyl)pyrimidin-2-yl]oxymethyl]-1-methylpyrrolo[3,2-b]quinoline?
The InChIKey is RKVINMIETUMNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O/c1-28-13-17(22-21(28)12-16-4-2-3-5-19(16)26-22)14-29-23-25-11-10-20(27-23)15-6-8-18(24)9-7-15/h2-13H,14H2,1H3.
What are the key properties of 3-[[4-(4-fluorophenyl)pyrimidin-2-yl]oxymethyl]-1-methylpyrrolo[3,2-b]quinoline?
3-[[4-(4-fluorophenyl)pyrimidin-2-yl]oxymethyl]-1-methylpyrrolo[3,2-b]quinoline has a molecular weight of 384.41 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-fluorophenyl)pyrimidin-2-yl]oxymethyl]-1-methylpyrrolo[3,2-b]quinoline is sourced from PubChem (CID 90676349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).