ethyl 4-[(3-methoxyphenyl)methylamino]quinazoline-2-carboxylate

C19H19N3O3 — CID 3755333

IUPACethyl 4-[(3-methoxyphenyl)methylamino]quinazoline-2-carboxylate
SMILESCCOC(=O)c1nc(NCc2cccc(OC)c2)c2ccccc2n1
InChIInChI=1S/C19H19N3O3/c1-3-25-19(23)18-21-16-10-5-4-9-15(16)17(22-18)20-12-13-7-6-8-14(11-13)24-2/h4-11H,3,12H2,1-2H3,(H,20,21,22)
InChIKeyPEYZYTBWXUNFMI-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.43
Rot. Bonds6

About ethyl 4-[(3-methoxyphenyl)methylamino]quinazoline-2-carboxylate

ethyl 4-[(3-methoxyphenyl)methylamino]quinazoline-2-carboxylate (PubChem CID 3755333) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is ethyl 4-[(3-methoxyphenyl)methylamino]quinazoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-methoxyphenyl)methylamino]quinazoline-2-carboxylate
PubChem CID3755333
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Nameethyl 4-[(3-methoxyphenyl)methylamino]quinazoline-2-carboxylate
SMILESCCOC(=O)c1nc(NCc2cccc(OC)c2)c2ccccc2n1
InChIInChI=1S/C19H19N3O3/c1-3-25-19(23)18-21-16-10-5-4-9-15(16)17(22-18)20-12-13-7-6-8-14(11-13)24-2/h4-11H,3,12H2,1-2H3,(H,20,21,22)
InChIKeyPEYZYTBWXUNFMI-UHFFFAOYSA-N
XLogP3.43
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-methoxyphenyl)methylamino]quinazoline-2-carboxylate?
The IUPAC name of ethyl 4-[(3-methoxyphenyl)methylamino]quinazoline-2-carboxylate (CID 3755333) is ethyl 4-[(3-methoxyphenyl)methylamino]quinazoline-2-carboxylate.
What is the SMILES notation for ethyl 4-[(3-methoxyphenyl)methylamino]quinazoline-2-carboxylate?
The canonical SMILES for ethyl 4-[(3-methoxyphenyl)methylamino]quinazoline-2-carboxylate is CCOC(=O)c1nc(NCc2cccc(OC)c2)c2ccccc2n1.
What is the InChIKey of ethyl 4-[(3-methoxyphenyl)methylamino]quinazoline-2-carboxylate?
The InChIKey is PEYZYTBWXUNFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-3-25-19(23)18-21-16-10-5-4-9-15(16)17(22-18)20-12-13-7-6-8-14(11-13)24-2/h4-11H,3,12H2,1-2H3,(H,20,21,22).
What are the key properties of ethyl 4-[(3-methoxyphenyl)methylamino]quinazoline-2-carboxylate?
ethyl 4-[(3-methoxyphenyl)methylamino]quinazoline-2-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-methoxyphenyl)methylamino]quinazoline-2-carboxylate is sourced from PubChem (CID 3755333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).