[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone

C34H37N3O3 — CID 90670617

IUPAC[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone
SMILESO=C(c1ccc(OCCN2CCCC2)cc1)c1nc2ccccc2cc1-c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C34H37N3O3/c38-34(27-11-15-30(16-12-27)40-24-22-37-19-5-6-20-37)33-31(25-28-7-1-2-8-32(28)35-33)26-9-13-29(14-10-26)39-23-21-36-17-3-4-18-36/h1-2,7-16,25H,3-6,17-24H2
InChIKeyQFTOPSXHWOWAIR-UHFFFAOYSA-N
MW535.69 g/mol
LogP6.08
Rot. Bonds11

About [4-(2-pyrrolidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone

[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone (PubChem CID 90670617) has the molecular formula C34H37N3O3 and a molecular weight of 535.69 g/mol. Its IUPAC name is [4-(2-pyrrolidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone.

Molecular Properties

Compound Name[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone
PubChem CID90670617
Molecular FormulaC34H37N3O3
Molecular Weight535.69 g/mol
Exact Mass535.28
IUPAC Name[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone
SMILESO=C(c1ccc(OCCN2CCCC2)cc1)c1nc2ccccc2cc1-c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C34H37N3O3/c38-34(27-11-15-30(16-12-27)40-24-22-37-19-5-6-20-37)33-31(25-28-7-1-2-8-32(28)35-33)26-9-13-29(14-10-26)39-23-21-36-17-3-4-18-36/h1-2,7-16,25H,3-6,17-24H2
InChIKeyQFTOPSXHWOWAIR-UHFFFAOYSA-N
XLogP6.08
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.69
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]naphthalen-2-yl]methanone
CID 10840369
[3-[4-[3-(dimethylamino)propoxy]phenyl]quinolin-2-yl]-(4-hydroxyphenyl)methanone
CID 90670612
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
3-[[4-(2-pyrrolidin-1-ylethoxy)phenoxy]methyl]quinoline
CID 18678270
[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-benzothiophen-3-yl]methanone
CID 21183030
[2-(2,4-difluorophenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 123788766
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
[2-(3,4-dihydroxyphenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 19362234
[2-(4-aminophenyl)-1-benzothiophen-3-yl]-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone
CID 22462724
indolo[2,1-a]isoquinolin-2-yl-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 139932264
[6-hydroxy-2-(4-hydroxyphenyl)-1-oxo-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 67725962

Frequently Asked Questions

What is the IUPAC name of [4-(2-pyrrolidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone?
The IUPAC name of [4-(2-pyrrolidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone (CID 90670617) is [4-(2-pyrrolidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone.
What is the SMILES notation for [4-(2-pyrrolidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone?
The canonical SMILES for [4-(2-pyrrolidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone is O=C(c1ccc(OCCN2CCCC2)cc1)c1nc2ccccc2cc1-c1ccc(OCCN2CCCC2)cc1.
What is the InChIKey of [4-(2-pyrrolidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone?
The InChIKey is QFTOPSXHWOWAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N3O3/c38-34(27-11-15-30(16-12-27)40-24-22-37-19-5-6-20-37)33-31(25-28-7-1-2-8-32(28)35-33)26-9-13-29(14-10-26)39-23-21-36-17-3-4-18-36/h1-2,7-16,25H,3-6,17-24H2.
What are the key properties of [4-(2-pyrrolidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone?
[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone has a molecular weight of 535.69 g/mol, XLogP of 6.08, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-pyrrolidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone is sourced from PubChem (CID 90670617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).