[7,8-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone

C24H28N4O — CID 46992353

IUPAC[7,8-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCc1ccc2c(C(=O)N3CCCC3C)cc(-c3cnc(C(C)C)nc3)nc2c1C
InChIInChI=1S/C24H28N4O/c1-14(2)23-25-12-18(13-26-23)21-11-20(24(29)28-10-6-7-16(28)4)19-9-8-15(3)17(5)22(19)27-21/h8-9,11-14,16H,6-7,10H2,1-5H3
InChIKeyJZIYHNDPWKGAAF-UHFFFAOYSA-N
MW388.52 g/mol
LogP5.06
Rot. Bonds3

About [7,8-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone

[7,8-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 46992353) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is [7,8-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[7,8-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
PubChem CID46992353
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name[7,8-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCc1ccc2c(C(=O)N3CCCC3C)cc(-c3cnc(C(C)C)nc3)nc2c1C
InChIInChI=1S/C24H28N4O/c1-14(2)23-25-12-18(13-26-23)21-11-20(24(29)28-10-6-7-16(28)4)19-9-8-15(3)17(5)22(19)27-21/h8-9,11-14,16H,6-7,10H2,1-5H3
InChIKeyJZIYHNDPWKGAAF-UHFFFAOYSA-N
XLogP5.06
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.52
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-cyclopropylpyrimidin-5-yl)-7,8-dimethylquinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 95047271
[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
N,7,8-trimethyl-2-(2-propan-2-ylpyrimidin-5-yl)-N-propylquinoline-4-carboxamide
CID 46989303
[6,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 95046040
[(2S)-2-methylpiperidin-1-yl]-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
CID 95046617
[6-fluoro-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 45171328
[2-[2-(2-methoxyethyl)pyrimidin-5-yl]-7,8-dimethylquinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 46990469
(2-methylpyrrolidin-1-yl)-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46988948
[2-(1-ethylpyrazol-4-yl)-7,8-dimethylquinolin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95046755
[2-(1-ethylpyrazol-4-yl)-7,8-dimethylquinolin-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 95046756

Frequently Asked Questions

What is the IUPAC name of [7,8-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [7,8-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone (CID 46992353) is [7,8-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [7,8-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [7,8-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone is Cc1ccc2c(C(=O)N3CCCC3C)cc(-c3cnc(C(C)C)nc3)nc2c1C.
What is the InChIKey of [7,8-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is JZIYHNDPWKGAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-14(2)23-25-12-18(13-26-23)21-11-20(24(29)28-10-6-7-16(28)4)19-9-8-15(3)17(5)22(19)27-21/h8-9,11-14,16H,6-7,10H2,1-5H3.
What are the key properties of [7,8-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone?
[7,8-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone has a molecular weight of 388.52 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7,8-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 46992353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).