ethyl 4-(4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate

C16H22N4O3 — CID 667257

IUPACethyl 4-(4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(C)c3c(n2)CCCC3=O)CC1
InChIInChI=1S/C16H22N4O3/c1-3-23-16(22)20-9-7-19(8-10-20)15-17-11(2)14-12(18-15)5-4-6-13(14)21/h3-10H2,1-2H3
InChIKeyHJYKYJVPULTGEE-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.58
Rot. Bonds2

About ethyl 4-(4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate

ethyl 4-(4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate (PubChem CID 667257) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is ethyl 4-(4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate
PubChem CID667257
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Nameethyl 4-(4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(C)c3c(n2)CCCC3=O)CC1
InChIInChI=1S/C16H22N4O3/c1-3-23-16(22)20-9-7-19(8-10-20)15-17-11(2)14-12(18-15)5-4-6-13(14)21/h3-10H2,1-2H3
InChIKeyHJYKYJVPULTGEE-UHFFFAOYSA-N
XLogP1.58
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 4-(4,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carboxylate
CID 665873
2-(4-ethylpiperazin-1-yl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one
CID 1831288
2-(4-ethylpiperazin-1-yl)-4,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 3161777
(E)-ethyl 4-(4-methyl-5-oxo-7-styryl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carboxylate
CID 16417826
4,7-Dimethyl-2-morpholin-4-yl-6,7,8-trihydroquinazolin-5-one
CID 16584107
4,7-Dimethyl-2-piperidyl-6,7,8-trihydroquinazolin-5-one
CID 16584108
2-(3,5-dimethylpiperidin-1-yl)-4,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 16584109
2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,7,7-trimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 16652966
1-(4,7-Dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)piperidine-4-carboxamide
CID 17190302
4,7-dimethyl-2-{[3-(morpholin-4-yl)propyl]amino}-7,8-dihydroquinazolin-5(6H)-one
CID 17190307
Ethyl 4-(7-methyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carboxylate
CID 25249535
4-methyl-2-(pyrrolidin-1-yl)-7,8-dihydroquinazolin-5(6H)-one
CID 16416432

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate (CID 667257) is ethyl 4-(4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nc(C)c3c(n2)CCCC3=O)CC1.
What is the InChIKey of ethyl 4-(4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate?
The InChIKey is HJYKYJVPULTGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-3-23-16(22)20-9-7-19(8-10-20)15-17-11(2)14-12(18-15)5-4-6-13(14)21/h3-10H2,1-2H3.
What are the key properties of ethyl 4-(4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate?
ethyl 4-(4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate has a molecular weight of 318.38 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 667257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).