ethyl 4-[5-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)pentanoyl]piperazine-1-carboxylate

C24H34N4O7 — CID 46369048

IUPACethyl 4-[5-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)pentanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCCCn2c(=O)[nH]c3cc(OCC)c(OCC)cc3c2=O)CC1
InChIInChI=1S/C24H34N4O7/c1-4-33-19-15-17-18(16-20(19)34-5-2)25-23(31)28(22(17)30)10-8-7-9-21(29)26-11-13-27(14-12-26)24(32)35-6-3/h15-16H,4-14H2,1-3H3,(H,25,31)
InChIKeyTXBPNPNLSRCGBO-UHFFFAOYSA-N
MW490.56 g/mol
LogP1.96
Rot. Bonds10

About ethyl 4-[5-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)pentanoyl]piperazine-1-carboxylate

ethyl 4-[5-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)pentanoyl]piperazine-1-carboxylate (PubChem CID 46369048) has the molecular formula C24H34N4O7 and a molecular weight of 490.56 g/mol. Its IUPAC name is ethyl 4-[5-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)pentanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)pentanoyl]piperazine-1-carboxylate
PubChem CID46369048
Molecular FormulaC24H34N4O7
Molecular Weight490.56 g/mol
Exact Mass490.24
IUPAC Nameethyl 4-[5-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)pentanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCCCn2c(=O)[nH]c3cc(OCC)c(OCC)cc3c2=O)CC1
InChIInChI=1S/C24H34N4O7/c1-4-33-19-15-17-18(16-20(19)34-5-2)25-23(31)28(22(17)30)10-8-7-9-21(29)26-11-13-27(14-12-26)24(32)35-6-3/h15-16H,4-14H2,1-3H3,(H,25,31)
InChIKeyTXBPNPNLSRCGBO-UHFFFAOYSA-N
XLogP1.96
TPSA123.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 4-[5-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)pentanoyl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)pentanoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[5-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)pentanoyl]piperazine-1-carboxylate (CID 46369048) is ethyl 4-[5-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)pentanoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)pentanoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)pentanoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CCCCn2c(=O)[nH]c3cc(OCC)c(OCC)cc3c2=O)CC1.
What is the InChIKey of ethyl 4-[5-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)pentanoyl]piperazine-1-carboxylate?
The InChIKey is TXBPNPNLSRCGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O7/c1-4-33-19-15-17-18(16-20(19)34-5-2)25-23(31)28(22(17)30)10-8-7-9-21(29)26-11-13-27(14-12-26)24(32)35-6-3/h15-16H,4-14H2,1-3H3,(H,25,31).
What are the key properties of ethyl 4-[5-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)pentanoyl]piperazine-1-carboxylate?
ethyl 4-[5-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)pentanoyl]piperazine-1-carboxylate has a molecular weight of 490.56 g/mol, XLogP of 1.96, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)pentanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 46369048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).