2-[[2-(3,4-dichloroanilino)quinazolin-4-yl]amino]ethanol chloride

C16H14Cl3N4O- — CID 53351738

IUPAC2-[[2-(3,4-dichloroanilino)quinazolin-4-yl]amino]ethanol chloride
SMILESOCCNc1nc(Nc2ccc(Cl)c(Cl)c2)nc2ccccc12.[Cl-]
InChIInChI=1S/C16H14Cl2N4O.ClH/c17-12-6-5-10(9-13(12)18)20-16-21-14-4-2-1-3-11(14)15(22-16)19-7-8-23;/h1-6,9,23H,7-8H2,(H2,19,20,21,22);1H/p-1
InChIKeyPPVDDFIZJMWKLM-UHFFFAOYSA-M
MW384.67 g/mol
LogP1.09
Rot. Bonds5

About 2-[[2-(3,4-dichloroanilino)quinazolin-4-yl]amino]ethanol chloride

2-[[2-(3,4-dichloroanilino)quinazolin-4-yl]amino]ethanol chloride (PubChem CID 53351738) has the molecular formula C16H14Cl3N4O- and a molecular weight of 384.67 g/mol. Its IUPAC name is 2-[[2-(3,4-dichloroanilino)quinazolin-4-yl]amino]ethanol chloride.

Molecular Properties

Compound Name2-[[2-(3,4-dichloroanilino)quinazolin-4-yl]amino]ethanol chloride
PubChem CID53351738
Molecular FormulaC16H14Cl3N4O-
Molecular Weight384.67 g/mol
Exact Mass383.02
IUPAC Name2-[[2-(3,4-dichloroanilino)quinazolin-4-yl]amino]ethanol chloride
SMILESOCCNc1nc(Nc2ccc(Cl)c(Cl)c2)nc2ccccc12.[Cl-]
InChIInChI=1S/C16H14Cl2N4O.ClH/c17-12-6-5-10(9-13(12)18)20-16-21-14-4-2-1-3-11(14)15(22-16)19-7-8-23;/h1-6,9,23H,7-8H2,(H2,19,20,21,22);1H/p-1
InChIKeyPPVDDFIZJMWKLM-UHFFFAOYSA-M
XLogP1.09
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.67
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dichloroanilino)quinazolin-4-yl]amino]ethanol chloride?
The IUPAC name of 2-[[2-(3,4-dichloroanilino)quinazolin-4-yl]amino]ethanol chloride (CID 53351738) is 2-[[2-(3,4-dichloroanilino)quinazolin-4-yl]amino]ethanol chloride.
What is the SMILES notation for 2-[[2-(3,4-dichloroanilino)quinazolin-4-yl]amino]ethanol chloride?
The canonical SMILES for 2-[[2-(3,4-dichloroanilino)quinazolin-4-yl]amino]ethanol chloride is OCCNc1nc(Nc2ccc(Cl)c(Cl)c2)nc2ccccc12.[Cl-].
What is the InChIKey of 2-[[2-(3,4-dichloroanilino)quinazolin-4-yl]amino]ethanol chloride?
The InChIKey is PPVDDFIZJMWKLM-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H14Cl2N4O.ClH/c17-12-6-5-10(9-13(12)18)20-16-21-14-4-2-1-3-11(14)15(22-16)19-7-8-23;/h1-6,9,23H,7-8H2,(H2,19,20,21,22);1H/p-1.
What are the key properties of 2-[[2-(3,4-dichloroanilino)quinazolin-4-yl]amino]ethanol chloride?
2-[[2-(3,4-dichloroanilino)quinazolin-4-yl]amino]ethanol chloride has a molecular weight of 384.67 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dichloroanilino)quinazolin-4-yl]amino]ethanol chloride is sourced from PubChem (CID 53351738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).