3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-3-fluorophenyl]quinoline

C23H18FN3 — CID 129019231

IUPAC3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-3-fluorophenyl]quinoline
SMILESFc1cc(-c2cnc3ccccc3c2)ccc1CN1Cc2cccnc2C1
InChIInChI=1S/C23H18FN3/c24-21-11-16(20-10-17-4-1-2-6-22(17)26-12-20)7-8-18(21)13-27-14-19-5-3-9-25-23(19)15-27/h1-12H,13-15H2
InChIKeyFUFULFABCQFLIK-UHFFFAOYSA-N
MW355.42 g/mol
LogP4.95
Rot. Bonds3

About 3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-3-fluorophenyl]quinoline

3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-3-fluorophenyl]quinoline (PubChem CID 129019231) has the molecular formula C23H18FN3 and a molecular weight of 355.42 g/mol. Its IUPAC name is 3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-3-fluorophenyl]quinoline.

Molecular Properties

Compound Name3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-3-fluorophenyl]quinoline
PubChem CID129019231
Molecular FormulaC23H18FN3
Molecular Weight355.42 g/mol
Exact Mass355.15
IUPAC Name3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-3-fluorophenyl]quinoline
SMILESFc1cc(-c2cnc3ccccc3c2)ccc1CN1Cc2cccnc2C1
InChIInChI=1S/C23H18FN3/c24-21-11-16(20-10-17-4-1-2-6-22(17)26-12-20)7-8-18(21)13-27-14-19-5-3-9-25-23(19)15-27/h1-12H,13-15H2
InChIKeyFUFULFABCQFLIK-UHFFFAOYSA-N
XLogP4.95
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-fluoro-4-naphthalen-2-ylphenyl)methyl]pyrido[2,3-b]pyrazin-3-one
CID 118940815
3-[4-(4-fluorophenyl)phenyl]quinoline
CID 171056588
3-[4-[4-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]quinoline
CID 171056620
3-[4-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 122426517
6-[[4-(6-chloro-5-methyl-3-pyridinyl)-2-fluorophenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol
CID 126658919
3-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline
CID 91488150
3-[4-ethyl-3-(trifluoromethyl)phenyl]quinoline
CID 70792067
6-[[2-fluoro-4-(1-iodopyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 146949330
4-[[2-fluoro-4-(1-methyl-3H-inden-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-3-one
CID 159983684
(2-fluoro-4-quinolin-3-ylphenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11553176
3-[[4-(7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]methyl]pyrido[3,2-d]pyrimidin-4-one
CID 121275710
6-[[2-fluoro-4-(1-methylindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 71555144

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-3-fluorophenyl]quinoline?
The IUPAC name of 3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-3-fluorophenyl]quinoline (CID 129019231) is 3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-3-fluorophenyl]quinoline.
What is the SMILES notation for 3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-3-fluorophenyl]quinoline?
The canonical SMILES for 3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-3-fluorophenyl]quinoline is Fc1cc(-c2cnc3ccccc3c2)ccc1CN1Cc2cccnc2C1.
What is the InChIKey of 3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-3-fluorophenyl]quinoline?
The InChIKey is FUFULFABCQFLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3/c24-21-11-16(20-10-17-4-1-2-6-22(17)26-12-20)7-8-18(21)13-27-14-19-5-3-9-25-23(19)15-27/h1-12H,13-15H2.
What are the key properties of 3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-3-fluorophenyl]quinoline?
3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-3-fluorophenyl]quinoline has a molecular weight of 355.42 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-3-fluorophenyl]quinoline is sourced from PubChem (CID 129019231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).