[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate

C20H25N3O4 — CID 135510173

IUPAC[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESCC1CCCC(C)N1C(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H25N3O4/c1-13-6-5-7-14(2)23(13)18(24)12-27-19(25)11-10-17-21-16-9-4-3-8-15(16)20(26)22-17/h3-4,8-9,13-14H,5-7,10-12H2,1-2H3,(H,21,22,26)
InChIKeyCXRSFBQIKMGEJL-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.19
Rot. Bonds5

About [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate (PubChem CID 135510173) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate.

Molecular Properties

Compound Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
PubChem CID135510173
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESCC1CCCC(C)N1C(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H25N3O4/c1-13-6-5-7-14(2)23(13)18(24)12-27-19(25)11-10-17-21-16-9-4-3-8-15(16)20(26)22-17/h3-4,8-9,13-14H,5-7,10-12H2,1-2H3,(H,21,22,26)
InChIKeyCXRSFBQIKMGEJL-UHFFFAOYSA-N
XLogP2.19
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate with MolForge

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Related Compounds

1-((3-(Trifluoromethyl)phenyl)carbamoyl)ethyl 3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoate
CID 135515801
AR-434/41599876
CID 135399149
2-(3-Piperidin-1-yl-propyl)-3H-quinazolin-4-one
CID 135508369
2-methyl-3-[3-(morpholin-4-yl)propyl]quinazolin-4(3H)-one
CID 1977430
N-(2,2-dimethoxyethyl)-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carboxamide
CID 5053439
2-methoxy-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)acetamide
CID 6620413
1-(4-oxo-3H-quinazolin-2-yl)ethyl 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 135697628
2-[2-cyclopropyl-1-[(3S,5R)-3,5-dimethylpiperazin-1-yl]ethyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 147692304
3-(2-Methoxyethyl)-2-(1-piperazin-1-ylbutyl)quinazolin-4-one
CID 148372331
2-[1-[(3S,5R)-3,5-dimethylpiperazin-1-yl]butyl]-3-methylquinazolin-4-one
CID 153574202
2-[1-[(3S,5R)-3,5-dimethylpiperazin-1-yl]butyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 153574346
2-[1-[(3S,5R)-3,5-dimethylpiperazin-1-yl]butyl]-3-ethylquinazolin-4-one
CID 153574348

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate (CID 135510173) is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate.
What is the SMILES notation for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The canonical SMILES for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate is CC1CCCC(C)N1C(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The InChIKey is CXRSFBQIKMGEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-13-6-5-7-14(2)23(13)18(24)12-27-19(25)11-10-17-21-16-9-4-3-8-15(16)20(26)22-17/h3-4,8-9,13-14H,5-7,10-12H2,1-2H3,(H,21,22,26).
What are the key properties of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate has a molecular weight of 371.44 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate is sourced from PubChem (CID 135510173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).