2-N,4-N-bis(3-chlorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine

C22H18Cl2N4O2 — CID 5328832

IUPAC2-N,4-N-bis(3-chlorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine
SMILESCOc1cc2nc(Nc3cccc(Cl)c3)nc(Nc3cccc(Cl)c3)c2cc1OC
InChIInChI=1S/C22H18Cl2N4O2/c1-29-19-11-17-18(12-20(19)30-2)27-22(26-16-8-4-6-14(24)10-16)28-21(17)25-15-7-3-5-13(23)9-15/h3-12H,1-2H3,(H2,25,26,27,28)
InChIKeyGSIJXOGHJUOJKI-UHFFFAOYSA-N
MW441.32 g/mol
LogP6.44
Rot. Bonds6

About 2-N,4-N-bis(3-chlorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine

2-N,4-N-bis(3-chlorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine (PubChem CID 5328832) has the molecular formula C22H18Cl2N4O2 and a molecular weight of 441.32 g/mol. Its IUPAC name is 2-N,4-N-bis(3-chlorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(3-chlorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine
PubChem CID5328832
Molecular FormulaC22H18Cl2N4O2
Molecular Weight441.32 g/mol
Exact Mass440.08
IUPAC Name2-N,4-N-bis(3-chlorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine
SMILESCOc1cc2nc(Nc3cccc(Cl)c3)nc(Nc3cccc(Cl)c3)c2cc1OC
InChIInChI=1S/C22H18Cl2N4O2/c1-29-19-11-17-18(12-20(19)30-2)27-22(26-16-8-4-6-14(24)10-16)28-21(17)25-15-7-3-5-13(23)9-15/h3-12H,1-2H3,(H2,25,26,27,28)
InChIKeyGSIJXOGHJUOJKI-UHFFFAOYSA-N
XLogP6.44
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.32
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(3-chlorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(3-chlorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine (CID 5328832) is 2-N,4-N-bis(3-chlorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(3-chlorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(3-chlorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine is COc1cc2nc(Nc3cccc(Cl)c3)nc(Nc3cccc(Cl)c3)c2cc1OC.
What is the InChIKey of 2-N,4-N-bis(3-chlorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine?
The InChIKey is GSIJXOGHJUOJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4O2/c1-29-19-11-17-18(12-20(19)30-2)27-22(26-16-8-4-6-14(24)10-16)28-21(17)25-15-7-3-5-13(23)9-15/h3-12H,1-2H3,(H2,25,26,27,28).
What are the key properties of 2-N,4-N-bis(3-chlorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine?
2-N,4-N-bis(3-chlorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine has a molecular weight of 441.32 g/mol, XLogP of 6.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(3-chlorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine is sourced from PubChem (CID 5328832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).