ethyl 4-[2-(4-ethoxyphenyl)ethylamino]quinazoline-2-carboxylate

C21H23N3O3 — CID 46349616

IUPACethyl 4-[2-(4-ethoxyphenyl)ethylamino]quinazoline-2-carboxylate
SMILESCCOC(=O)c1nc(NCCc2ccc(OCC)cc2)c2ccccc2n1
InChIInChI=1S/C21H23N3O3/c1-3-26-16-11-9-15(10-12-16)13-14-22-19-17-7-5-6-8-18(17)23-20(24-19)21(25)27-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,22,23,24)
InChIKeyGAWSUBSLGBPKLQ-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.86
Rot. Bonds8

About ethyl 4-[2-(4-ethoxyphenyl)ethylamino]quinazoline-2-carboxylate

ethyl 4-[2-(4-ethoxyphenyl)ethylamino]quinazoline-2-carboxylate (PubChem CID 46349616) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is ethyl 4-[2-(4-ethoxyphenyl)ethylamino]quinazoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(4-ethoxyphenyl)ethylamino]quinazoline-2-carboxylate
PubChem CID46349616
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Nameethyl 4-[2-(4-ethoxyphenyl)ethylamino]quinazoline-2-carboxylate
SMILESCCOC(=O)c1nc(NCCc2ccc(OCC)cc2)c2ccccc2n1
InChIInChI=1S/C21H23N3O3/c1-3-26-16-11-9-15(10-12-16)13-14-22-19-17-7-5-6-8-18(17)23-20(24-19)21(25)27-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,22,23,24)
InChIKeyGAWSUBSLGBPKLQ-UHFFFAOYSA-N
XLogP3.86
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[2-(3,4-diethoxyphenyl)ethylamino]quinazoline-2-carboxylate
CID 46349594
ethyl 4-(3,5-dimethoxyanilino)quinazoline-2-carboxylate
CID 6615329
ethyl 4-(2,5-dimethoxyanilino)quinazoline-2-carboxylate
CID 1192543
ethyl 4-(4-methoxycarbonylanilino)quinazoline-2-carboxylate
CID 1192536
ethyl 4-(2-phenylethylamino)quinoline-3-carboxylate
CID 709117
ethyl 4-(2,5-difluoroanilino)quinazoline-2-carboxylate
CID 46349613
ethyl 4-[4-(trifluoromethyl)anilino]quinazoline-2-carboxylate
CID 6615271
ethyl 4-(3-methoxycarbonylanilino)quinazoline-2-carboxylate
CID 1192533
ethyl 4-methyl-2-[2-(quinazolin-4-ylamino)ethyl]-1,3-thiazole-5-carboxylate
CID 67890766
ethyl 4-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methylamino]quinazoline-2-carboxylate
CID 46349627
4-(2-butoxyethylamino)quinazoline-2-carboxylic acid
CID 63867859
N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110788107

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-ethoxyphenyl)ethylamino]quinazoline-2-carboxylate?
The IUPAC name of ethyl 4-[2-(4-ethoxyphenyl)ethylamino]quinazoline-2-carboxylate (CID 46349616) is ethyl 4-[2-(4-ethoxyphenyl)ethylamino]quinazoline-2-carboxylate.
What is the SMILES notation for ethyl 4-[2-(4-ethoxyphenyl)ethylamino]quinazoline-2-carboxylate?
The canonical SMILES for ethyl 4-[2-(4-ethoxyphenyl)ethylamino]quinazoline-2-carboxylate is CCOC(=O)c1nc(NCCc2ccc(OCC)cc2)c2ccccc2n1.
What is the InChIKey of ethyl 4-[2-(4-ethoxyphenyl)ethylamino]quinazoline-2-carboxylate?
The InChIKey is GAWSUBSLGBPKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-3-26-16-11-9-15(10-12-16)13-14-22-19-17-7-5-6-8-18(17)23-20(24-19)21(25)27-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,22,23,24).
What are the key properties of ethyl 4-[2-(4-ethoxyphenyl)ethylamino]quinazoline-2-carboxylate?
ethyl 4-[2-(4-ethoxyphenyl)ethylamino]quinazoline-2-carboxylate has a molecular weight of 365.43 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4-ethoxyphenyl)ethylamino]quinazoline-2-carboxylate is sourced from PubChem (CID 46349616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).