[2-(2-cyclopropylpyrimidin-5-yl)-7,8-dimethylquinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone

C24H26N4O — CID 95047271

IUPAC[2-(2-cyclopropylpyrimidin-5-yl)-7,8-dimethylquinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
SMILESCc1ccc2c(C(=O)N3CCC[C@H]3C)cc(-c3cnc(C4CC4)nc3)nc2c1C
InChIInChI=1S/C24H26N4O/c1-14-6-9-19-20(24(29)28-10-4-5-15(28)2)11-21(27-22(19)16(14)3)18-12-25-23(26-13-18)17-7-8-17/h6,9,11-13,15,17H,4-5,7-8,10H2,1-3H3/t15-/m1/s1
InChIKeyANBYAGNKWYEWSG-OAHLLOKOSA-N
MW386.50 g/mol
LogP4.81
Rot. Bonds3

About [2-(2-cyclopropylpyrimidin-5-yl)-7,8-dimethylquinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone

[2-(2-cyclopropylpyrimidin-5-yl)-7,8-dimethylquinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone (PubChem CID 95047271) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is [2-(2-cyclopropylpyrimidin-5-yl)-7,8-dimethylquinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-cyclopropylpyrimidin-5-yl)-7,8-dimethylquinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
PubChem CID95047271
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name[2-(2-cyclopropylpyrimidin-5-yl)-7,8-dimethylquinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
SMILESCc1ccc2c(C(=O)N3CCC[C@H]3C)cc(-c3cnc(C4CC4)nc3)nc2c1C
InChIInChI=1S/C24H26N4O/c1-14-6-9-19-20(24(29)28-10-4-5-15(28)2)11-21(27-22(19)16(14)3)18-12-25-23(26-13-18)17-7-8-17/h6,9,11-13,15,17H,4-5,7-8,10H2,1-3H3/t15-/m1/s1
InChIKeyANBYAGNKWYEWSG-OAHLLOKOSA-N
XLogP4.81
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(2-cyclopropylpyrimidin-5-yl)-7,8-dimethylquinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[7,8-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 46992353
[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 95046708
[7-chloro-2-(4-ethylphenyl)-8-methylquinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 17372831
[2-(2-ethylpyrimidin-5-yl)-7-methylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
CID 95046285
[6,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 95046040
[2-[2-(2-methoxyethyl)pyrimidin-5-yl]-7,8-dimethylquinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 46990469
[2-(2-cyclopropylpyrimidin-5-yl)-7-methylquinolin-4-yl]-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 46984849
[2-(1-ethylpyrazol-4-yl)-7,8-dimethylquinolin-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 95046756
[2-(1-ethylpyrazol-4-yl)-7,8-dimethylquinolin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95046755
[2-(3,4-dimethylphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1221554
[7,8-dimethyl-2-[2-(1,2,4-triazol-1-ylmethyl)pyrimidin-5-yl]quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 46992667
[7-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 46995494

Frequently Asked Questions

What is the IUPAC name of [2-(2-cyclopropylpyrimidin-5-yl)-7,8-dimethylquinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone?
The IUPAC name of [2-(2-cyclopropylpyrimidin-5-yl)-7,8-dimethylquinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone (CID 95047271) is [2-(2-cyclopropylpyrimidin-5-yl)-7,8-dimethylquinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(2-cyclopropylpyrimidin-5-yl)-7,8-dimethylquinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(2-cyclopropylpyrimidin-5-yl)-7,8-dimethylquinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone is Cc1ccc2c(C(=O)N3CCC[C@H]3C)cc(-c3cnc(C4CC4)nc3)nc2c1C.
What is the InChIKey of [2-(2-cyclopropylpyrimidin-5-yl)-7,8-dimethylquinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone?
The InChIKey is ANBYAGNKWYEWSG-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H26N4O/c1-14-6-9-19-20(24(29)28-10-4-5-15(28)2)11-21(27-22(19)16(14)3)18-12-25-23(26-13-18)17-7-8-17/h6,9,11-13,15,17H,4-5,7-8,10H2,1-3H3/t15-/m1/s1.
What are the key properties of [2-(2-cyclopropylpyrimidin-5-yl)-7,8-dimethylquinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone?
[2-(2-cyclopropylpyrimidin-5-yl)-7,8-dimethylquinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone has a molecular weight of 386.50 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-cyclopropylpyrimidin-5-yl)-7,8-dimethylquinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 95047271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).