ethyl 4-[2-(3,4-diethoxyphenyl)ethylamino]quinazoline-2-carboxylate

C23H27N3O4 — CID 46349594

IUPACethyl 4-[2-(3,4-diethoxyphenyl)ethylamino]quinazoline-2-carboxylate
SMILESCCOC(=O)c1nc(NCCc2ccc(OCC)c(OCC)c2)c2ccccc2n1
InChIInChI=1S/C23H27N3O4/c1-4-28-19-12-11-16(15-20(19)29-5-2)13-14-24-21-17-9-7-8-10-18(17)25-22(26-21)23(27)30-6-3/h7-12,15H,4-6,13-14H2,1-3H3,(H,24,25,26)
InChIKeyHPDOGYTYIOMNQQ-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.26
Rot. Bonds10

About ethyl 4-[2-(3,4-diethoxyphenyl)ethylamino]quinazoline-2-carboxylate

ethyl 4-[2-(3,4-diethoxyphenyl)ethylamino]quinazoline-2-carboxylate (PubChem CID 46349594) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is ethyl 4-[2-(3,4-diethoxyphenyl)ethylamino]quinazoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(3,4-diethoxyphenyl)ethylamino]quinazoline-2-carboxylate
PubChem CID46349594
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Nameethyl 4-[2-(3,4-diethoxyphenyl)ethylamino]quinazoline-2-carboxylate
SMILESCCOC(=O)c1nc(NCCc2ccc(OCC)c(OCC)c2)c2ccccc2n1
InChIInChI=1S/C23H27N3O4/c1-4-28-19-12-11-16(15-20(19)29-5-2)13-14-24-21-17-9-7-8-10-18(17)25-22(26-21)23(27)30-6-3/h7-12,15H,4-6,13-14H2,1-3H3,(H,24,25,26)
InChIKeyHPDOGYTYIOMNQQ-UHFFFAOYSA-N
XLogP4.26
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[2-(3,4-diethoxyphenyl)ethylamino]quinazoline-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 4-[2-(4-ethoxyphenyl)ethylamino]quinazoline-2-carboxylate
CID 46349616
ethyl 2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanylacetate
CID 3592298
ethyl 4-(2,5-dimethoxyanilino)quinazoline-2-carboxylate
CID 1192543
ethyl 4-(3,5-dimethoxyanilino)quinazoline-2-carboxylate
CID 6615329
ethyl 4-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methylamino]quinazoline-2-carboxylate
CID 46349627
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide
CID 53012888
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine
CID 91966287
ethyl 4-(2,5-difluoroanilino)quinazoline-2-carboxylate
CID 46349613
ethyl 4-(4-methoxycarbonylanilino)quinazoline-2-carboxylate
CID 1192536
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine
CID 23632137
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine
CID 23632095

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(3,4-diethoxyphenyl)ethylamino]quinazoline-2-carboxylate?
The IUPAC name of ethyl 4-[2-(3,4-diethoxyphenyl)ethylamino]quinazoline-2-carboxylate (CID 46349594) is ethyl 4-[2-(3,4-diethoxyphenyl)ethylamino]quinazoline-2-carboxylate.
What is the SMILES notation for ethyl 4-[2-(3,4-diethoxyphenyl)ethylamino]quinazoline-2-carboxylate?
The canonical SMILES for ethyl 4-[2-(3,4-diethoxyphenyl)ethylamino]quinazoline-2-carboxylate is CCOC(=O)c1nc(NCCc2ccc(OCC)c(OCC)c2)c2ccccc2n1.
What is the InChIKey of ethyl 4-[2-(3,4-diethoxyphenyl)ethylamino]quinazoline-2-carboxylate?
The InChIKey is HPDOGYTYIOMNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-4-28-19-12-11-16(15-20(19)29-5-2)13-14-24-21-17-9-7-8-10-18(17)25-22(26-21)23(27)30-6-3/h7-12,15H,4-6,13-14H2,1-3H3,(H,24,25,26).
What are the key properties of ethyl 4-[2-(3,4-diethoxyphenyl)ethylamino]quinazoline-2-carboxylate?
ethyl 4-[2-(3,4-diethoxyphenyl)ethylamino]quinazoline-2-carboxylate has a molecular weight of 409.49 g/mol, XLogP of 4.26, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(3,4-diethoxyphenyl)ethylamino]quinazoline-2-carboxylate is sourced from PubChem (CID 46349594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).