1,3-dimethyl-4-[2-(2-methylpyrimidin-5-yl)quinoline-4-carbonyl]piperazin-2-one

C21H21N5O2 — CID 45195321

IUPAC1,3-dimethyl-4-[2-(2-methylpyrimidin-5-yl)quinoline-4-carbonyl]piperazin-2-one
SMILESCc1ncc(-c2cc(C(=O)N3CCN(C)C(=O)C3C)c3ccccc3n2)cn1
InChIInChI=1S/C21H21N5O2/c1-13-20(27)25(3)8-9-26(13)21(28)17-10-19(15-11-22-14(2)23-12-15)24-18-7-5-4-6-16(17)18/h4-7,10-13H,8-9H2,1-3H3
InChIKeyUNBODUYTYPJOLX-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.30
Rot. Bonds2

About 1,3-dimethyl-4-[2-(2-methylpyrimidin-5-yl)quinoline-4-carbonyl]piperazin-2-one

1,3-dimethyl-4-[2-(2-methylpyrimidin-5-yl)quinoline-4-carbonyl]piperazin-2-one (PubChem CID 45195321) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1,3-dimethyl-4-[2-(2-methylpyrimidin-5-yl)quinoline-4-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-4-[2-(2-methylpyrimidin-5-yl)quinoline-4-carbonyl]piperazin-2-one
PubChem CID45195321
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name1,3-dimethyl-4-[2-(2-methylpyrimidin-5-yl)quinoline-4-carbonyl]piperazin-2-one
SMILESCc1ncc(-c2cc(C(=O)N3CCN(C)C(=O)C3C)c3ccccc3n2)cn1
InChIInChI=1S/C21H21N5O2/c1-13-20(27)25(3)8-9-26(13)21(28)17-10-19(15-11-22-14(2)23-12-15)24-18-7-5-4-6-16(17)18/h4-7,10-13H,8-9H2,1-3H3
InChIKeyUNBODUYTYPJOLX-UHFFFAOYSA-N
XLogP2.30
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-4-[6-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]piperazin-2-one
CID 46998920
(3R)-1,3-dimethyl-4-(2-phenylbenzoyl)piperazin-2-one
CID 95199734
[4-[2-(4-ethoxyphenyl)quinoline-4-carbonyl]-2,5-dimethylpiperazin-1-yl]-[2-(4-ethoxyphenyl)quinolin-4-yl]methanone
CID 3504538
[2-(3,4-dimethylphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1221554
[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]-2,5-dimethylpiperazin-1-yl]-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 4605822
(2,4-dimethyl-1,4-diazepan-1-yl)-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46991420
(2-methylpyrrolidin-1-yl)-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46988948
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
azocan-1-yl-[7-fluoro-2-(2-methylpyrimidin-5-yl)quinolin-4-yl]methanone
CID 46996613
[2-(4-bromophenyl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 4198467
(2,6-dimethylpiperidin-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 4224556
[2-(2-ethylpyrimidin-5-yl)-7-methylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
CID 95046285

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[2-(2-methylpyrimidin-5-yl)quinoline-4-carbonyl]piperazin-2-one?
The IUPAC name of 1,3-dimethyl-4-[2-(2-methylpyrimidin-5-yl)quinoline-4-carbonyl]piperazin-2-one (CID 45195321) is 1,3-dimethyl-4-[2-(2-methylpyrimidin-5-yl)quinoline-4-carbonyl]piperazin-2-one.
What is the SMILES notation for 1,3-dimethyl-4-[2-(2-methylpyrimidin-5-yl)quinoline-4-carbonyl]piperazin-2-one?
The canonical SMILES for 1,3-dimethyl-4-[2-(2-methylpyrimidin-5-yl)quinoline-4-carbonyl]piperazin-2-one is Cc1ncc(-c2cc(C(=O)N3CCN(C)C(=O)C3C)c3ccccc3n2)cn1.
What is the InChIKey of 1,3-dimethyl-4-[2-(2-methylpyrimidin-5-yl)quinoline-4-carbonyl]piperazin-2-one?
The InChIKey is UNBODUYTYPJOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-13-20(27)25(3)8-9-26(13)21(28)17-10-19(15-11-22-14(2)23-12-15)24-18-7-5-4-6-16(17)18/h4-7,10-13H,8-9H2,1-3H3.
What are the key properties of 1,3-dimethyl-4-[2-(2-methylpyrimidin-5-yl)quinoline-4-carbonyl]piperazin-2-one?
1,3-dimethyl-4-[2-(2-methylpyrimidin-5-yl)quinoline-4-carbonyl]piperazin-2-one has a molecular weight of 375.43 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[2-(2-methylpyrimidin-5-yl)quinoline-4-carbonyl]piperazin-2-one is sourced from PubChem (CID 45195321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).