ethyl 4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]piperidine-1-carboxylate

C19H24N4O4 — CID 31844800

IUPACethyl 4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cn2cnc3c(C)cccc3c2=O)CC1
InChIInChI=1S/C19H24N4O4/c1-3-27-19(26)22-9-7-14(8-10-22)21-16(24)11-23-12-20-17-13(2)5-4-6-15(17)18(23)25/h4-6,12,14H,3,7-11H2,1-2H3,(H,21,24)
InChIKeyJCKZUSVFAWDLMS-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.44
Rot. Bonds4

About ethyl 4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]piperidine-1-carboxylate (PubChem CID 31844800) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is ethyl 4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]piperidine-1-carboxylate
PubChem CID31844800
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Nameethyl 4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cn2cnc3c(C)cccc3c2=O)CC1
InChIInChI=1S/C19H24N4O4/c1-3-27-19(26)22-9-7-14(8-10-22)21-16(24)11-23-12-20-17-13(2)5-4-6-15(17)18(23)25/h4-6,12,14H,3,7-11H2,1-2H3,(H,21,24)
InChIKeyJCKZUSVFAWDLMS-UHFFFAOYSA-N
XLogP1.44
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(cyclooctylamino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938357
N-(1-acetylpiperidin-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
CID 47015246
N-(1-methoxypropan-2-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397674
8-methyl-3-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 55956332
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 55643698
8-methyl-3-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 119544609
N-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 87026199
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
CID 52507049
ethyl 4-[[2-[2-(4-ethylpiperazin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]acetyl]amino]piperidine-1-carboxylate
CID 50927784
N-(2-methoxyphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397655
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-2-piperidin-1-ylpropyl)acetamide
CID 17394856
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-propoxyphenyl)acetamide
CID 27895346

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]piperidine-1-carboxylate (CID 31844800) is ethyl 4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)Cn2cnc3c(C)cccc3c2=O)CC1.
What is the InChIKey of ethyl 4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is JCKZUSVFAWDLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-3-27-19(26)22-9-7-14(8-10-22)21-16(24)11-23-12-20-17-13(2)5-4-6-15(17)18(23)25/h4-6,12,14H,3,7-11H2,1-2H3,(H,21,24).
What are the key properties of ethyl 4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 372.43 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 31844800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).