[2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone

C24H20N4O — CID 110253714

IUPAC[2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCCC1c1ccnc(-c2ccccc2)n1
InChIInChI=1S/C24H20N4O/c29-24(21-13-12-17-7-4-5-10-19(17)26-21)28-16-6-11-22(28)20-14-15-25-23(27-20)18-8-2-1-3-9-18/h1-5,7-10,12-15,22H,6,11,16H2
InChIKeyNWBOYHKDSPARSW-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.67
Rot. Bonds3

About [2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone

[2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone (PubChem CID 110253714) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is [2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone
PubChem CID110253714
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name[2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCCC1c1ccnc(-c2ccccc2)n1
InChIInChI=1S/C24H20N4O/c29-24(21-13-12-17-7-4-5-10-19(17)26-21)28-16-6-11-22(28)20-14-15-25-23(27-20)18-8-2-1-3-9-18/h1-5,7-10,12-15,22H,6,11,16H2
InChIKeyNWBOYHKDSPARSW-UHFFFAOYSA-N
XLogP4.67
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)-quinolin-2-ylmethanone
CID 110118432
[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 125001075
[1-(2-fluorophenyl)cyclopentyl]-[(2R)-2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
CID 129453255
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 129427982
N,N-dimethyl-7-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124968290
[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 95319800
[(2S)-2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 95816109
[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 95110711
[2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 110120660
[2-(3-aminopropyl)pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 63765568
N-cyclohexyl-2-hydroxy-2-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]acetamide
CID 10523905
[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 91906389

Frequently Asked Questions

What is the IUPAC name of [2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone?
The IUPAC name of [2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone (CID 110253714) is [2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone is O=C(c1ccc2ccccc2n1)N1CCCC1c1ccnc(-c2ccccc2)n1.
What is the InChIKey of [2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone?
The InChIKey is NWBOYHKDSPARSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O/c29-24(21-13-12-17-7-4-5-10-19(17)26-21)28-16-6-11-22(28)20-14-15-25-23(27-20)18-8-2-1-3-9-18/h1-5,7-10,12-15,22H,6,11,16H2.
What are the key properties of [2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone?
[2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone has a molecular weight of 380.45 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 110253714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).