4-[4-[3-(hydroxymethyl)-7-methylquinolin-2-yl]benzoyl]-3-methylpiperazin-2-one

C23H23N3O3 — CID 122561030

IUPAC4-[4-[3-(hydroxymethyl)-7-methylquinolin-2-yl]benzoyl]-3-methylpiperazin-2-one
SMILESCc1ccc2cc(CO)c(-c3ccc(C(=O)N4CCNC(=O)C4C)cc3)nc2c1
InChIInChI=1S/C23H23N3O3/c1-14-3-4-18-12-19(13-27)21(25-20(18)11-14)16-5-7-17(8-6-16)23(29)26-10-9-24-22(28)15(26)2/h3-8,11-12,15,27H,9-10,13H2,1-2H3,(H,24,28)
InChIKeyALHRZAQLVQLVQH-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.66
Rot. Bonds3

About 4-[4-[3-(hydroxymethyl)-7-methylquinolin-2-yl]benzoyl]-3-methylpiperazin-2-one

4-[4-[3-(hydroxymethyl)-7-methylquinolin-2-yl]benzoyl]-3-methylpiperazin-2-one (PubChem CID 122561030) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-[4-[3-(hydroxymethyl)-7-methylquinolin-2-yl]benzoyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[4-[3-(hydroxymethyl)-7-methylquinolin-2-yl]benzoyl]-3-methylpiperazin-2-one
PubChem CID122561030
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name4-[4-[3-(hydroxymethyl)-7-methylquinolin-2-yl]benzoyl]-3-methylpiperazin-2-one
SMILESCc1ccc2cc(CO)c(-c3ccc(C(=O)N4CCNC(=O)C4C)cc3)nc2c1
InChIInChI=1S/C23H23N3O3/c1-14-3-4-18-12-19(13-27)21(25-20(18)11-14)16-5-7-17(8-6-16)23(29)26-10-9-24-22(28)15(26)2/h3-8,11-12,15,27H,9-10,13H2,1-2H3,(H,24,28)
InChIKeyALHRZAQLVQLVQH-UHFFFAOYSA-N
XLogP2.66
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[4-[3-(hydroxymethyl)-7-methylquinolin-2-yl]benzoyl]-3-methylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-methyl-4-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]piperazin-2-one
CID 95871055
(3R)-3-methyl-4-(4-phenylbenzoyl)piperazin-2-one
CID 25283888
4-(2,6-dimethylquinoline-3-carbonyl)-3-methylpiperazin-2-one
CID 46994284
4-(3,4-dimethylbenzoyl)-3-methylpiperazin-2-one
CID 63373754
(3S)-4-(4-benzylbenzoyl)-3-methylpiperazin-2-one
CID 25283951
(3R)-3-methyl-4-[4-[4-(trifluoromethyl)-2-pyridinyl]benzoyl]piperazin-2-one
CID 126434667
4-[3-(3,6-dimethylpyrazin-2-yl)benzoyl]-3-methylpiperazin-2-one
CID 118772464
3-methyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-2-one
CID 63091999
4-(2-fluoropyridine-4-carbonyl)-3-methylpiperazin-2-one
CID 55219534
3-methyl-4-(2,4,6-trimethylbenzoyl)piperazin-2-one
CID 63605892
4-(2,3-dihydro-1H-indole-5-carbonyl)-3-methylpiperazin-2-one
CID 63606218
(3S)-3-ethyl-4-[4-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]benzoyl]piperazin-2-one
CID 125437778

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(hydroxymethyl)-7-methylquinolin-2-yl]benzoyl]-3-methylpiperazin-2-one?
The IUPAC name of 4-[4-[3-(hydroxymethyl)-7-methylquinolin-2-yl]benzoyl]-3-methylpiperazin-2-one (CID 122561030) is 4-[4-[3-(hydroxymethyl)-7-methylquinolin-2-yl]benzoyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[4-[3-(hydroxymethyl)-7-methylquinolin-2-yl]benzoyl]-3-methylpiperazin-2-one?
The canonical SMILES for 4-[4-[3-(hydroxymethyl)-7-methylquinolin-2-yl]benzoyl]-3-methylpiperazin-2-one is Cc1ccc2cc(CO)c(-c3ccc(C(=O)N4CCNC(=O)C4C)cc3)nc2c1.
What is the InChIKey of 4-[4-[3-(hydroxymethyl)-7-methylquinolin-2-yl]benzoyl]-3-methylpiperazin-2-one?
The InChIKey is ALHRZAQLVQLVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-14-3-4-18-12-19(13-27)21(25-20(18)11-14)16-5-7-17(8-6-16)23(29)26-10-9-24-22(28)15(26)2/h3-8,11-12,15,27H,9-10,13H2,1-2H3,(H,24,28).
What are the key properties of 4-[4-[3-(hydroxymethyl)-7-methylquinolin-2-yl]benzoyl]-3-methylpiperazin-2-one?
4-[4-[3-(hydroxymethyl)-7-methylquinolin-2-yl]benzoyl]-3-methylpiperazin-2-one has a molecular weight of 389.46 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(hydroxymethyl)-7-methylquinolin-2-yl]benzoyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 122561030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).