[2-(2-cyclopropylpyrimidin-5-yl)-7-methylquinolin-4-yl]-(3,3-dimethylpyrrolidin-1-yl)methanone

C24H26N4O — CID 46984849

IUPAC[2-(2-cyclopropylpyrimidin-5-yl)-7-methylquinolin-4-yl]-(3,3-dimethylpyrrolidin-1-yl)methanone
SMILESCc1ccc2c(C(=O)N3CCC(C)(C)C3)cc(-c3cnc(C4CC4)nc3)nc2c1
InChIInChI=1S/C24H26N4O/c1-15-4-7-18-19(23(29)28-9-8-24(2,3)14-28)11-20(27-21(18)10-15)17-12-25-22(26-13-17)16-5-6-16/h4,7,10-13,16H,5-6,8-9,14H2,1-3H3
InChIKeyUUGKJOOFAJDBIM-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.75
Rot. Bonds3

About [2-(2-cyclopropylpyrimidin-5-yl)-7-methylquinolin-4-yl]-(3,3-dimethylpyrrolidin-1-yl)methanone

[2-(2-cyclopropylpyrimidin-5-yl)-7-methylquinolin-4-yl]-(3,3-dimethylpyrrolidin-1-yl)methanone (PubChem CID 46984849) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is [2-(2-cyclopropylpyrimidin-5-yl)-7-methylquinolin-4-yl]-(3,3-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-cyclopropylpyrimidin-5-yl)-7-methylquinolin-4-yl]-(3,3-dimethylpyrrolidin-1-yl)methanone
PubChem CID46984849
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name[2-(2-cyclopropylpyrimidin-5-yl)-7-methylquinolin-4-yl]-(3,3-dimethylpyrrolidin-1-yl)methanone
SMILESCc1ccc2c(C(=O)N3CCC(C)(C)C3)cc(-c3cnc(C4CC4)nc3)nc2c1
InChIInChI=1S/C24H26N4O/c1-15-4-7-18-19(23(29)28-9-8-24(2,3)14-28)11-20(27-21(18)10-15)17-12-25-22(26-13-17)16-5-6-16/h4,7,10-13,16H,5-6,8-9,14H2,1-3H3
InChIKeyUUGKJOOFAJDBIM-UHFFFAOYSA-N
XLogP4.75
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 ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,3-dimethylpyrrolidin-1-yl)-[2-(2-ethylpyrimidin-5-yl)-7-fluoroquinolin-4-yl]methanone
CID 46990570
(4,4-difluoropiperidin-1-yl)-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46991473
[2-(2-ethylpyrimidin-5-yl)-7-methylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
CID 95046285
[2-(2-cyclopropylpyrimidin-5-yl)-7,8-dimethylquinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 95047271
azocan-1-yl-[7-fluoro-2-(2-methylpyrimidin-5-yl)quinolin-4-yl]methanone
CID 46996613
(4-amino-6-methyl-3-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 81246007
(3,3-dimethylpyrrolidin-1-yl)-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 81249569
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(2,4-dimethylphenyl)quinolin-4-yl]methanone;dihydrochloride
CID 120804488
[7-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 46995494
[(2S)-2-methylpiperidin-1-yl]-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
CID 95046617
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 120814720
(2-cyclopropylpyrimidin-5-yl)-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]methanone
CID 132764912

Frequently Asked Questions

What is the IUPAC name of [2-(2-cyclopropylpyrimidin-5-yl)-7-methylquinolin-4-yl]-(3,3-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of [2-(2-cyclopropylpyrimidin-5-yl)-7-methylquinolin-4-yl]-(3,3-dimethylpyrrolidin-1-yl)methanone (CID 46984849) is [2-(2-cyclopropylpyrimidin-5-yl)-7-methylquinolin-4-yl]-(3,3-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [2-(2-cyclopropylpyrimidin-5-yl)-7-methylquinolin-4-yl]-(3,3-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for [2-(2-cyclopropylpyrimidin-5-yl)-7-methylquinolin-4-yl]-(3,3-dimethylpyrrolidin-1-yl)methanone is Cc1ccc2c(C(=O)N3CCC(C)(C)C3)cc(-c3cnc(C4CC4)nc3)nc2c1.
What is the InChIKey of [2-(2-cyclopropylpyrimidin-5-yl)-7-methylquinolin-4-yl]-(3,3-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is UUGKJOOFAJDBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-15-4-7-18-19(23(29)28-9-8-24(2,3)14-28)11-20(27-21(18)10-15)17-12-25-22(26-13-17)16-5-6-16/h4,7,10-13,16H,5-6,8-9,14H2,1-3H3.
What are the key properties of [2-(2-cyclopropylpyrimidin-5-yl)-7-methylquinolin-4-yl]-(3,3-dimethylpyrrolidin-1-yl)methanone?
[2-(2-cyclopropylpyrimidin-5-yl)-7-methylquinolin-4-yl]-(3,3-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 386.50 g/mol, XLogP of 4.75, 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-methylquinolin-4-yl]-(3,3-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 46984849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).