3-(3-methylphenyl)-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione

C23H25N3O3 — CID 22429437

IUPAC3-(3-methylphenyl)-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
SMILESCc1cccc(-n2c(=O)c3ccccc3n(CC(=O)N3CCCCC3C)c2=O)c1
InChIInChI=1S/C23H25N3O3/c1-16-8-7-10-18(14-16)26-22(28)19-11-3-4-12-20(19)25(23(26)29)15-21(27)24-13-6-5-9-17(24)2/h3-4,7-8,10-12,14,17H,5-6,9,13,15H2,1-2H3
InChIKeyYSHCMNVHIIAFCM-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.86
Rot. Bonds3

About 3-(3-methylphenyl)-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione

3-(3-methylphenyl)-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione (PubChem CID 22429437) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-(3-methylphenyl)-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(3-methylphenyl)-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
PubChem CID22429437
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name3-(3-methylphenyl)-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
SMILESCc1cccc(-n2c(=O)c3ccccc3n(CC(=O)N3CCCCC3C)c2=O)c1
InChIInChI=1S/C23H25N3O3/c1-16-8-7-10-18(14-16)26-22(28)19-11-3-4-12-20(19)25(23(26)29)15-21(27)24-13-6-5-9-17(24)2/h3-4,7-8,10-12,14,17H,5-6,9,13,15H2,1-2H3
InChIKeyYSHCMNVHIIAFCM-UHFFFAOYSA-N
XLogP2.86
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-methylphenyl)benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 17000859
2-methyl-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]indole-3-carbaldehyde
CID 7098941
N-cyclopentyl-4-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]cyclohexane-1-carboxamide
CID 41146099
2-[3-(2-aminobutyl)-2-methylindol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 170889788
9-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-diene-10,12-dione
CID 6619259
3-(4-ethylphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 15995715
methyl 7-cyclopropyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250790
methyl 7-cyclopropyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 29056449
4-(3,4-dimethylphenyl)-6-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-3,5-dione
CID 41493056
4-(3,4-dimethylphenyl)-6-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-3,5-dione
CID 18592540
3-(3,5-dimethylphenyl)-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]quinazoline-2,4-dione
CID 164962152
3-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2H-phthalazine-1,4-dione
CID 32747148

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione?
The IUPAC name of 3-(3-methylphenyl)-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione (CID 22429437) is 3-(3-methylphenyl)-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione.
What is the SMILES notation for 3-(3-methylphenyl)-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione?
The canonical SMILES for 3-(3-methylphenyl)-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione is Cc1cccc(-n2c(=O)c3ccccc3n(CC(=O)N3CCCCC3C)c2=O)c1.
What is the InChIKey of 3-(3-methylphenyl)-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione?
The InChIKey is YSHCMNVHIIAFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-8-7-10-18(14-16)26-22(28)19-11-3-4-12-20(19)25(23(26)29)15-21(27)24-13-6-5-9-17(24)2/h3-4,7-8,10-12,14,17H,5-6,9,13,15H2,1-2H3.
What are the key properties of 3-(3-methylphenyl)-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione?
3-(3-methylphenyl)-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione has a molecular weight of 391.47 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione is sourced from PubChem (CID 22429437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).