(3-pyridin-3-ylpyrrolidin-1-yl)-(4-quinolin-3-ylphenyl)methanone

C25H21N3O — CID 46846484

IUPAC(3-pyridin-3-ylpyrrolidin-1-yl)-(4-quinolin-3-ylphenyl)methanone
SMILESO=C(c1ccc(-c2cnc3ccccc3c2)cc1)N1CCC(c2cccnc2)C1
InChIInChI=1S/C25H21N3O/c29-25(28-13-11-22(17-28)21-5-3-12-26-15-21)19-9-7-18(8-10-19)23-14-20-4-1-2-6-24(20)27-16-23/h1-10,12,14-16,22H,11,13,17H2
InChIKeyMTDAHAQRUHJCSQ-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.93
Rot. Bonds3

About (3-pyridin-3-ylpyrrolidin-1-yl)-(4-quinolin-3-ylphenyl)methanone

(3-pyridin-3-ylpyrrolidin-1-yl)-(4-quinolin-3-ylphenyl)methanone (PubChem CID 46846484) has the molecular formula C25H21N3O and a molecular weight of 379.46 g/mol. Its IUPAC name is (3-pyridin-3-ylpyrrolidin-1-yl)-(4-quinolin-3-ylphenyl)methanone.

Molecular Properties

Compound Name(3-pyridin-3-ylpyrrolidin-1-yl)-(4-quinolin-3-ylphenyl)methanone
PubChem CID46846484
Molecular FormulaC25H21N3O
Molecular Weight379.46 g/mol
Exact Mass379.17
IUPAC Name(3-pyridin-3-ylpyrrolidin-1-yl)-(4-quinolin-3-ylphenyl)methanone
SMILESO=C(c1ccc(-c2cnc3ccccc3c2)cc1)N1CCC(c2cccnc2)C1
InChIInChI=1S/C25H21N3O/c29-25(28-13-11-22(17-28)21-5-3-12-26-15-21)19-9-7-18(8-10-19)23-14-20-4-1-2-6-24(20)27-16-23/h1-10,12,14-16,22H,11,13,17H2
InChIKeyMTDAHAQRUHJCSQ-UHFFFAOYSA-N
XLogP4.93
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 146092927
(4-iodophenyl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 96537371
(3-pyridin-3-ylpyrrolidin-1-yl)-[4-[4-(trifluoromethoxymethyl)phenyl]phenyl]methanone
CID 46846478
(1-cyclopropyl-2-phenylbenzimidazol-5-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 46190523
(4-pyrazol-1-ylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 67389917
(3-pyridin-3-ylpyrrolidin-1-yl)-[3-pyrimidin-5-yl-4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]methanone
CID 46847226
[4-[1-hydroxy-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 134080726
[4-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethoxy)phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 87382116
[4-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-3-ylphenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 46846683
[4-(4-ethoxy-3-methylphenyl)-2-methylphenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 67435954
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
(3-pyridin-3-ylpiperidin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone
CID 154843398

Frequently Asked Questions

What is the IUPAC name of (3-pyridin-3-ylpyrrolidin-1-yl)-(4-quinolin-3-ylphenyl)methanone?
The IUPAC name of (3-pyridin-3-ylpyrrolidin-1-yl)-(4-quinolin-3-ylphenyl)methanone (CID 46846484) is (3-pyridin-3-ylpyrrolidin-1-yl)-(4-quinolin-3-ylphenyl)methanone.
What is the SMILES notation for (3-pyridin-3-ylpyrrolidin-1-yl)-(4-quinolin-3-ylphenyl)methanone?
The canonical SMILES for (3-pyridin-3-ylpyrrolidin-1-yl)-(4-quinolin-3-ylphenyl)methanone is O=C(c1ccc(-c2cnc3ccccc3c2)cc1)N1CCC(c2cccnc2)C1.
What is the InChIKey of (3-pyridin-3-ylpyrrolidin-1-yl)-(4-quinolin-3-ylphenyl)methanone?
The InChIKey is MTDAHAQRUHJCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O/c29-25(28-13-11-22(17-28)21-5-3-12-26-15-21)19-9-7-18(8-10-19)23-14-20-4-1-2-6-24(20)27-16-23/h1-10,12,14-16,22H,11,13,17H2.
What are the key properties of (3-pyridin-3-ylpyrrolidin-1-yl)-(4-quinolin-3-ylphenyl)methanone?
(3-pyridin-3-ylpyrrolidin-1-yl)-(4-quinolin-3-ylphenyl)methanone has a molecular weight of 379.46 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-3-ylpyrrolidin-1-yl)-(4-quinolin-3-ylphenyl)methanone is sourced from PubChem (CID 46846484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).