[4-(4-methylphenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone

C27H24N2O2 — CID 121157244

IUPAC[4-(4-methylphenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
SMILESCc1ccc(-c2ccc(C(=O)N3CCC(Oc4cccc5cccnc45)C3)cc2)cc1
InChIInChI=1S/C27H24N2O2/c1-19-7-9-20(10-8-19)21-11-13-23(14-12-21)27(30)29-17-15-24(18-29)31-25-6-2-4-22-5-3-16-28-26(22)25/h2-14,16,24H,15,17-18H2,1H3
InChIKeyNEEZRBSXPWRNFM-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.50
Rot. Bonds4

About [4-(4-methylphenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone

[4-(4-methylphenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone (PubChem CID 121157244) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is [4-(4-methylphenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-methylphenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
PubChem CID121157244
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC Name[4-(4-methylphenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
SMILESCc1ccc(-c2ccc(C(=O)N3CCC(Oc4cccc5cccnc45)C3)cc2)cc1
InChIInChI=1S/C27H24N2O2/c1-19-7-9-20(10-8-19)21-11-13-23(14-12-21)27(30)29-17-15-24(18-29)31-25-6-2-4-22-5-3-16-28-26(22)25/h2-14,16,24H,15,17-18H2,1H3
InChIKeyNEEZRBSXPWRNFM-UHFFFAOYSA-N
XLogP5.50
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-fluorophenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
CID 121157245
[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 124728047
2,2-dimethyl-1-[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]propan-1-one
CID 124846967
(3-pyridin-4-yloxypyrrolidin-1-yl)-(4-quinolin-8-ylphenyl)methanone
CID 166194792
2-(4-phenylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone
CID 121157257
(3R)-N-ethyl-3-quinolin-8-yloxypyrrolidine-1-carboxamide
CID 124863649
(3-phenylmethoxyphenyl)-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
CID 121157254
furan-3-yl-(4-quinolin-8-yloxypiperidin-1-yl)methanone
CID 91625340
2-pyridin-3-yl-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone
CID 124760974
2-(4-bromophenyl)-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone
CID 124760007
(2-chlorophenyl)-(4-quinolin-8-yloxypiperidin-1-yl)methanone
CID 91625334
(3-quinolin-8-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
CID 143981180

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of [4-(4-methylphenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone (CID 121157244) is [4-(4-methylphenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-(4-methylphenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for [4-(4-methylphenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone is Cc1ccc(-c2ccc(C(=O)N3CCC(Oc4cccc5cccnc45)C3)cc2)cc1.
What is the InChIKey of [4-(4-methylphenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone?
The InChIKey is NEEZRBSXPWRNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2/c1-19-7-9-20(10-8-19)21-11-13-23(14-12-21)27(30)29-17-15-24(18-29)31-25-6-2-4-22-5-3-16-28-26(22)25/h2-14,16,24H,15,17-18H2,1H3.
What are the key properties of [4-(4-methylphenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone?
[4-(4-methylphenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone has a molecular weight of 408.50 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 121157244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).