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

C16H22N4O3 — CID 25249535

IUPACethyl 4-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ncc3c(n2)CC(C)CC3=O)CC1
InChIInChI=1S/C16H22N4O3/c1-3-23-16(22)20-6-4-19(5-7-20)15-17-10-12-13(18-15)8-11(2)9-14(12)21/h10-11H,3-9H2,1-2H3
InChIKeyRQVKHCNCQQXQRD-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.52
Rot. Bonds2

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

ethyl 4-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate (PubChem CID 25249535) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is ethyl 4-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate
PubChem CID25249535
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Nameethyl 4-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ncc3c(n2)CC(C)CC3=O)CC1
InChIInChI=1S/C16H22N4O3/c1-3-23-16(22)20-6-4-19(5-7-20)15-17-10-12-13(18-15)8-11(2)9-14(12)21/h10-11H,3-9H2,1-2H3
InChIKeyRQVKHCNCQQXQRD-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate (CID 25249535) is ethyl 4-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ncc3c(n2)CC(C)CC3=O)CC1.
What is the InChIKey of ethyl 4-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate?
The InChIKey is RQVKHCNCQQXQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-3-23-16(22)20-6-4-19(5-7-20)15-17-10-12-13(18-15)8-11(2)9-14(12)21/h10-11H,3-9H2,1-2H3.
What are the key properties of ethyl 4-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate?
ethyl 4-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate has a molecular weight of 318.38 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 25249535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).