(3-phenylmethoxyphenyl)-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone

C27H24N2O3 — CID 121157254

IUPAC(3-phenylmethoxyphenyl)-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
SMILESO=C(c1cccc(OCc2ccccc2)c1)N1CCC(Oc2cccc3cccnc23)C1
InChIInChI=1S/C27H24N2O3/c30-27(22-10-4-12-23(17-22)31-19-20-7-2-1-3-8-20)29-16-14-24(18-29)32-25-13-5-9-21-11-6-15-28-26(21)25/h1-13,15,17,24H,14,16,18-19H2
InChIKeyYNZXDTNLOHPRDP-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.11
Rot. Bonds6

About (3-phenylmethoxyphenyl)-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone

(3-phenylmethoxyphenyl)-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone (PubChem CID 121157254) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is (3-phenylmethoxyphenyl)-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-phenylmethoxyphenyl)-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
PubChem CID121157254
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC Name(3-phenylmethoxyphenyl)-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
SMILESO=C(c1cccc(OCc2ccccc2)c1)N1CCC(Oc2cccc3cccnc23)C1
InChIInChI=1S/C27H24N2O3/c30-27(22-10-4-12-23(17-22)31-19-20-7-2-1-3-8-20)29-16-14-24(18-29)32-25-13-5-9-21-11-6-15-28-26(21)25/h1-13,15,17,24H,14,16,18-19H2
InChIKeyYNZXDTNLOHPRDP-UHFFFAOYSA-N
XLogP5.11
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-phenylmethoxyphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)propan-1-one
CID 121157251
[4-(4-fluorophenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
CID 121157245
[4-(4-methylphenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
CID 121157244
2-pyridin-3-yl-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone
CID 124760974
2-(4-phenylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone
CID 121157257
[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 124728047
(3R)-N-ethyl-3-quinolin-8-yloxypyrrolidine-1-carboxamide
CID 124863649
2,2-dimethyl-1-[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]propan-1-one
CID 124846967
2-(4-bromophenyl)-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone
CID 124760007
[(3R)-3-aminopyrrolidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 119410482
furan-3-yl-(4-quinolin-8-yloxypiperidin-1-yl)methanone
CID 91625340
[(3R)-3-aminopyrrolidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride
CID 119410481

Frequently Asked Questions

What is the IUPAC name of (3-phenylmethoxyphenyl)-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of (3-phenylmethoxyphenyl)-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone (CID 121157254) is (3-phenylmethoxyphenyl)-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-phenylmethoxyphenyl)-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for (3-phenylmethoxyphenyl)-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone is O=C(c1cccc(OCc2ccccc2)c1)N1CCC(Oc2cccc3cccnc23)C1.
What is the InChIKey of (3-phenylmethoxyphenyl)-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone?
The InChIKey is YNZXDTNLOHPRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3/c30-27(22-10-4-12-23(17-22)31-19-20-7-2-1-3-8-20)29-16-14-24(18-29)32-25-13-5-9-21-11-6-15-28-26(21)25/h1-13,15,17,24H,14,16,18-19H2.
What are the key properties of (3-phenylmethoxyphenyl)-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone?
(3-phenylmethoxyphenyl)-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone has a molecular weight of 424.50 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylmethoxyphenyl)-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 121157254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).