[7-[(4-fluorophenyl)methyl]-8-hydroxypyrrolo[3,4-g]quinolin-5-yl]-piperidin-1-ylmethanone

C24H22FN3O2 — CID 91144520

IUPAC[7-[(4-fluorophenyl)methyl]-8-hydroxypyrrolo[3,4-g]quinolin-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1c2cccnc2cc2c(O)n(Cc3ccc(F)cc3)cc12)N1CCCCC1
InChIInChI=1S/C24H22FN3O2/c25-17-8-6-16(7-9-17)14-28-15-20-19(23(28)29)13-21-18(5-4-10-26-21)22(20)24(30)27-11-2-1-3-12-27/h4-10,13,15,29H,1-3,11-12,14H2
InChIKeyPCIWECZFXJWITI-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.71
Rot. Bonds3

About [7-[(4-fluorophenyl)methyl]-8-hydroxypyrrolo[3,4-g]quinolin-5-yl]-piperidin-1-ylmethanone

[7-[(4-fluorophenyl)methyl]-8-hydroxypyrrolo[3,4-g]quinolin-5-yl]-piperidin-1-ylmethanone (PubChem CID 91144520) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is [7-[(4-fluorophenyl)methyl]-8-hydroxypyrrolo[3,4-g]quinolin-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[7-[(4-fluorophenyl)methyl]-8-hydroxypyrrolo[3,4-g]quinolin-5-yl]-piperidin-1-ylmethanone
PubChem CID91144520
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC Name[7-[(4-fluorophenyl)methyl]-8-hydroxypyrrolo[3,4-g]quinolin-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1c2cccnc2cc2c(O)n(Cc3ccc(F)cc3)cc12)N1CCCCC1
InChIInChI=1S/C24H22FN3O2/c25-17-8-6-16(7-9-17)14-28-15-20-19(23(28)29)13-21-18(5-4-10-26-21)22(20)24(30)27-11-2-1-3-12-27/h4-10,13,15,29H,1-3,11-12,14H2
InChIKeyPCIWECZFXJWITI-UHFFFAOYSA-N
XLogP4.71
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepane-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one
CID 7620629
[7-[(4-fluorophenyl)methyl]-8,9-dihydroxypyrrolo[3,4-g]quinolin-5-yl]-phenylmethanone
CID 90819307
ethyl (2S)-2-[2-[4-[7-[(4-fluorophenyl)methyl]-8,9-dihydroxypyrrolo[3,4-g]quinoline-5-carbonyl]piperazin-1-yl]ethyl-phenoxyphosphoryl]oxypropanoate
CID 90745180
N-[7-[(4-fluorophenyl)methyl]-8,9-dihydroxypyrrolo[3,4-g]quinolin-5-yl]-2-methylpropanamide
CID 90773025
[3-[(4-fluorophenyl)methyl]-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone
CID 155598874
2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanyl-1-piperidin-1-ylethanone
CID 4548690
7-[(4-fluorophenyl)methyl]-5-methoxypyrrolo[3,4-g]quinoline-8,9-diol
CID 91489906
[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341642
[7-[(4-fluorophenyl)methyl]-8,9-dihydroxypyrrolo[3,4-g]quinolin-5-yl] N-benzylsulfamate
CID 91294767
ethyl (2S)-2-[2-[4-[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-hydroxypyrrolo[3,4-g]quinoline-5-carbonyl]piperazin-1-yl]ethyl-phenoxyphosphoryl]oxypropanoate
CID 91080512
N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55755699
7-[(4-fluorophenyl)methyl]-8,9-dihydroxy-N-(1-pyridin-3-ylethyl)pyrrolo[3,4-g]quinoline-5-carboxamide
CID 90919199

Frequently Asked Questions

What is the IUPAC name of [7-[(4-fluorophenyl)methyl]-8-hydroxypyrrolo[3,4-g]quinolin-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [7-[(4-fluorophenyl)methyl]-8-hydroxypyrrolo[3,4-g]quinolin-5-yl]-piperidin-1-ylmethanone (CID 91144520) is [7-[(4-fluorophenyl)methyl]-8-hydroxypyrrolo[3,4-g]quinolin-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [7-[(4-fluorophenyl)methyl]-8-hydroxypyrrolo[3,4-g]quinolin-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [7-[(4-fluorophenyl)methyl]-8-hydroxypyrrolo[3,4-g]quinolin-5-yl]-piperidin-1-ylmethanone is O=C(c1c2cccnc2cc2c(O)n(Cc3ccc(F)cc3)cc12)N1CCCCC1.
What is the InChIKey of [7-[(4-fluorophenyl)methyl]-8-hydroxypyrrolo[3,4-g]quinolin-5-yl]-piperidin-1-ylmethanone?
The InChIKey is PCIWECZFXJWITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c25-17-8-6-16(7-9-17)14-28-15-20-19(23(28)29)13-21-18(5-4-10-26-21)22(20)24(30)27-11-2-1-3-12-27/h4-10,13,15,29H,1-3,11-12,14H2.
What are the key properties of [7-[(4-fluorophenyl)methyl]-8-hydroxypyrrolo[3,4-g]quinolin-5-yl]-piperidin-1-ylmethanone?
[7-[(4-fluorophenyl)methyl]-8-hydroxypyrrolo[3,4-g]quinolin-5-yl]-piperidin-1-ylmethanone has a molecular weight of 403.46 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(4-fluorophenyl)methyl]-8-hydroxypyrrolo[3,4-g]quinolin-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 91144520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).