2-[2-[4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline

C24H20FN3 — CID 71152387

IUPAC2-[2-[4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline
SMILESFc1ccc(-c2ccnc3c2CN(CCc2ccc4ccccc4n2)C3)cc1
InChIInChI=1S/C24H20FN3/c25-19-8-5-17(6-9-19)21-11-13-26-24-16-28(15-22(21)24)14-12-20-10-7-18-3-1-2-4-23(18)27-20/h1-11,13H,12,14-16H2
InChIKeyCRQFBXNAAKZXCN-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.99
Rot. Bonds4

About 2-[2-[4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline

2-[2-[4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline (PubChem CID 71152387) has the molecular formula C24H20FN3 and a molecular weight of 369.44 g/mol. Its IUPAC name is 2-[2-[4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline.

Molecular Properties

Compound Name2-[2-[4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline
PubChem CID71152387
Molecular FormulaC24H20FN3
Molecular Weight369.44 g/mol
Exact Mass369.16
IUPAC Name2-[2-[4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline
SMILESFc1ccc(-c2ccnc3c2CN(CCc2ccc4ccccc4n2)C3)cc1
InChIInChI=1S/C24H20FN3/c25-19-8-5-17(6-9-19)21-11-13-26-24-16-28(15-22(21)24)14-12-20-10-7-18-3-1-2-4-23(18)27-20/h1-11,13H,12,14-16H2
InChIKeyCRQFBXNAAKZXCN-UHFFFAOYSA-N
XLogP4.99
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[4-(1H-pyrazol-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline
CID 71152219
2-[2-[4-(2-chloro-4-pyridinyl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline
CID 123740790
2-[2-[4-(3H-benzimidazol-5-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline
CID 141362054
4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonitrile
CID 175223732
4-(4-methoxyphenyl)-6-(2-quinolin-2-ylethyl)-5H-pyrrolo[3,4-b]pyridin-7-one;2,2,2-trifluoroacetic acid
CID 71149402
2-[2-[4-(2-methylpyrazol-3-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]-1,3-benzothiazole
CID 141362094
5-[2-(4-pyridin-4-yl-1,3-dihydroisoindol-2-yl)ethyl]thieno[3,2-b]pyridine
CID 141362078
2-(2-quinolin-2-ylethyl)-1,10-phenanthroline;hydrochloride
CID 70116348
2-[2-[4-(3,6-dimethoxypyridazin-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline
CID 71152577
7-(2-chloro-4-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71499204
7-(3-fluoro-5-methoxyphenyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149822
1-(4-fluorophenyl)-2-quinolin-2-ylethanamine
CID 43118778

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline?
The IUPAC name of 2-[2-[4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline (CID 71152387) is 2-[2-[4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline.
What is the SMILES notation for 2-[2-[4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline?
The canonical SMILES for 2-[2-[4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline is Fc1ccc(-c2ccnc3c2CN(CCc2ccc4ccccc4n2)C3)cc1.
What is the InChIKey of 2-[2-[4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline?
The InChIKey is CRQFBXNAAKZXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3/c25-19-8-5-17(6-9-19)21-11-13-26-24-16-28(15-22(21)24)14-12-20-10-7-18-3-1-2-4-23(18)27-20/h1-11,13H,12,14-16H2.
What are the key properties of 2-[2-[4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline?
2-[2-[4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline has a molecular weight of 369.44 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline is sourced from PubChem (CID 71152387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).