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

C16H15Cl3N4O — CID 2974249

IUPAC2-[[2-(3,4-dichloroanilino)quinazolin-4-yl]amino]ethanol;hydrochloride
SMILESCl.OCCNc1nc(Nc2ccc(Cl)c(Cl)c2)nc2ccccc12
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
InChIKeyPPVDDFIZJMWKLM-UHFFFAOYSA-N
MW385.68 g/mol
LogP4.51
Rot. Bonds5

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

2-[[2-(3,4-dichloroanilino)quinazolin-4-yl]amino]ethanol;hydrochloride (PubChem CID 2974249) has the molecular formula C16H15Cl3N4O and a molecular weight of 385.68 g/mol. Its IUPAC name is 2-[[2-(3,4-dichloroanilino)quinazolin-4-yl]amino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[[2-(3,4-dichloroanilino)quinazolin-4-yl]amino]ethanol;hydrochloride
PubChem CID2974249
Molecular FormulaC16H15Cl3N4O
Molecular Weight385.68 g/mol
Exact Mass384.03
IUPAC Name2-[[2-(3,4-dichloroanilino)quinazolin-4-yl]amino]ethanol;hydrochloride
SMILESCl.OCCNc1nc(Nc2ccc(Cl)c(Cl)c2)nc2ccccc12
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
InChIKeyPPVDDFIZJMWKLM-UHFFFAOYSA-N
XLogP4.51
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.68
LogP ≤ 54.51
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;hydrochloride?
The IUPAC name of 2-[[2-(3,4-dichloroanilino)quinazolin-4-yl]amino]ethanol;hydrochloride (CID 2974249) is 2-[[2-(3,4-dichloroanilino)quinazolin-4-yl]amino]ethanol;hydrochloride.
What is the SMILES notation for 2-[[2-(3,4-dichloroanilino)quinazolin-4-yl]amino]ethanol;hydrochloride?
The canonical SMILES for 2-[[2-(3,4-dichloroanilino)quinazolin-4-yl]amino]ethanol;hydrochloride is Cl.OCCNc1nc(Nc2ccc(Cl)c(Cl)c2)nc2ccccc12.
What is the InChIKey of 2-[[2-(3,4-dichloroanilino)quinazolin-4-yl]amino]ethanol;hydrochloride?
The InChIKey is PPVDDFIZJMWKLM-UHFFFAOYSA-N. 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.
What are the key properties of 2-[[2-(3,4-dichloroanilino)quinazolin-4-yl]amino]ethanol;hydrochloride?
2-[[2-(3,4-dichloroanilino)quinazolin-4-yl]amino]ethanol;hydrochloride has a molecular weight of 385.68 g/mol, XLogP of 4.51, 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;hydrochloride is sourced from PubChem (CID 2974249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).