4-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]quinazoline-8-carboxamide

C18H19N5O2 — CID 46869310

IUPAC4-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]quinazoline-8-carboxamide
SMILESCOc1ccc(C(CN)Nc2ncnc3c(C(N)=O)cccc23)cc1
InChIInChI=1S/C18H19N5O2/c1-25-12-7-5-11(6-8-12)15(9-19)23-18-14-4-2-3-13(17(20)24)16(14)21-10-22-18/h2-8,10,15H,9,19H2,1H3,(H2,20,24)(H,21,22,23)
InChIKeyPRHCRPUDJXUXCO-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.85
Rot. Bonds6

About 4-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]quinazoline-8-carboxamide

4-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]quinazoline-8-carboxamide (PubChem CID 46869310) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]quinazoline-8-carboxamide
PubChem CID46869310
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name4-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]quinazoline-8-carboxamide
SMILESCOc1ccc(C(CN)Nc2ncnc3c(C(N)=O)cccc23)cc1
InChIInChI=1S/C18H19N5O2/c1-25-12-7-5-11(6-8-12)15(9-19)23-18-14-4-2-3-13(17(20)24)16(14)21-10-22-18/h2-8,10,15H,9,19H2,1H3,(H2,20,24)(H,21,22,23)
InChIKeyPRHCRPUDJXUXCO-UHFFFAOYSA-N
XLogP1.85
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]quinazoline-8-carboxamide (CID 46869310) is 4-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]quinazoline-8-carboxamide is COc1ccc(C(CN)Nc2ncnc3c(C(N)=O)cccc23)cc1.
What is the InChIKey of 4-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]quinazoline-8-carboxamide?
The InChIKey is PRHCRPUDJXUXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-25-12-7-5-11(6-8-12)15(9-19)23-18-14-4-2-3-13(17(20)24)16(14)21-10-22-18/h2-8,10,15H,9,19H2,1H3,(H2,20,24)(H,21,22,23).
What are the key properties of 4-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]quinazoline-8-carboxamide?
4-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]quinazoline-8-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]quinazoline-8-carboxamide is sourced from PubChem (CID 46869310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).