5-[1-(3,4-dichlorophenyl)ethoxy]quinazoline-2,4-diamine

C16H14Cl2N4O — CID 11515810

IUPAC5-[1-(3,4-dichlorophenyl)ethoxy]quinazoline-2,4-diamine
SMILESCC(Oc1cccc2nc(N)nc(N)c12)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2N4O/c1-8(9-5-6-10(17)11(18)7-9)23-13-4-2-3-12-14(13)15(19)22-16(20)21-12/h2-8H,1H3,(H4,19,20,21,22)
InChIKeyGQRJTYJYJFZKMB-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.24
Rot. Bonds3

About 5-[1-(3,4-dichlorophenyl)ethoxy]quinazoline-2,4-diamine

5-[1-(3,4-dichlorophenyl)ethoxy]quinazoline-2,4-diamine (PubChem CID 11515810) has the molecular formula C16H14Cl2N4O and a molecular weight of 349.22 g/mol. Its IUPAC name is 5-[1-(3,4-dichlorophenyl)ethoxy]quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-[1-(3,4-dichlorophenyl)ethoxy]quinazoline-2,4-diamine
PubChem CID11515810
Molecular FormulaC16H14Cl2N4O
Molecular Weight349.22 g/mol
Exact Mass348.05
IUPAC Name5-[1-(3,4-dichlorophenyl)ethoxy]quinazoline-2,4-diamine
SMILESCC(Oc1cccc2nc(N)nc(N)c12)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2N4O/c1-8(9-5-6-10(17)11(18)7-9)23-13-4-2-3-12-14(13)15(19)22-16(20)21-12/h2-8H,1H3,(H4,19,20,21,22)
InChIKeyGQRJTYJYJFZKMB-UHFFFAOYSA-N
XLogP4.24
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,4-dichlorophenyl)ethoxy]quinazoline-2,4-diamine?
The IUPAC name of 5-[1-(3,4-dichlorophenyl)ethoxy]quinazoline-2,4-diamine (CID 11515810) is 5-[1-(3,4-dichlorophenyl)ethoxy]quinazoline-2,4-diamine.
What is the SMILES notation for 5-[1-(3,4-dichlorophenyl)ethoxy]quinazoline-2,4-diamine?
The canonical SMILES for 5-[1-(3,4-dichlorophenyl)ethoxy]quinazoline-2,4-diamine is CC(Oc1cccc2nc(N)nc(N)c12)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-[1-(3,4-dichlorophenyl)ethoxy]quinazoline-2,4-diamine?
The InChIKey is GQRJTYJYJFZKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O/c1-8(9-5-6-10(17)11(18)7-9)23-13-4-2-3-12-14(13)15(19)22-16(20)21-12/h2-8H,1H3,(H4,19,20,21,22).
What are the key properties of 5-[1-(3,4-dichlorophenyl)ethoxy]quinazoline-2,4-diamine?
5-[1-(3,4-dichlorophenyl)ethoxy]quinazoline-2,4-diamine has a molecular weight of 349.22 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,4-dichlorophenyl)ethoxy]quinazoline-2,4-diamine is sourced from PubChem (CID 11515810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).