2-[[2-(4-chloroanilino)quinazolin-4-yl]amino]ethanol;hydrochloride

C16H16Cl2N4O — CID 2951954

IUPAC2-[[2-(4-chloroanilino)quinazolin-4-yl]amino]ethanol;hydrochloride
SMILESCl.OCCNc1nc(Nc2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C16H15ClN4O.ClH/c17-11-5-7-12(8-6-11)19-16-20-14-4-2-1-3-13(14)15(21-16)18-9-10-22;/h1-8,22H,9-10H2,(H2,18,19,20,21);1H
InChIKeyCFBXCOBJSJNLHD-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.85
Rot. Bonds5

About 2-[[2-(4-chloroanilino)quinazolin-4-yl]amino]ethanol;hydrochloride

2-[[2-(4-chloroanilino)quinazolin-4-yl]amino]ethanol;hydrochloride (PubChem CID 2951954) has the molecular formula C16H16Cl2N4O and a molecular weight of 351.24 g/mol. Its IUPAC name is 2-[[2-(4-chloroanilino)quinazolin-4-yl]amino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[[2-(4-chloroanilino)quinazolin-4-yl]amino]ethanol;hydrochloride
PubChem CID2951954
Molecular FormulaC16H16Cl2N4O
Molecular Weight351.24 g/mol
Exact Mass350.07
IUPAC Name2-[[2-(4-chloroanilino)quinazolin-4-yl]amino]ethanol;hydrochloride
SMILESCl.OCCNc1nc(Nc2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C16H15ClN4O.ClH/c17-11-5-7-12(8-6-11)19-16-20-14-4-2-1-3-13(14)15(21-16)18-9-10-22;/h1-8,22H,9-10H2,(H2,18,19,20,21);1H
InChIKeyCFBXCOBJSJNLHD-UHFFFAOYSA-N
XLogP3.85
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
3-[(6-Chloro-4-phenylquinazolin-2-yl)amino]propan-1-ol
CID 1904923
6-Chloro-4-phenyl-2-(piperazin-1-yl)quinazoline
CID 658787
4-(3-Chloroanilino)quinazoline
CID 128872
CID 2971918
CID 2971918
2-N-benzyl-4-N-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 697231
4-N-benzyl-2-N-phenylquinazoline-2,4-diamine
CID 805487
2-({2-[(4-Bromophenyl)amino]-4-quinazolinyl}amino)ethanol hydrochloride
CID 2952991
6-chloro-N-(3-chlorophenyl)quinazolin-4-amine
CID 5328819
1-N-{2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl}cyclohexane-1,4-diamine
CID 10115841
3-[4-({2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl}amino)butyl]guanidine
CID 22667956
N-(2-aminoethyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-amine
CID 25190632

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chloroanilino)quinazolin-4-yl]amino]ethanol;hydrochloride?
The IUPAC name of 2-[[2-(4-chloroanilino)quinazolin-4-yl]amino]ethanol;hydrochloride (CID 2951954) is 2-[[2-(4-chloroanilino)quinazolin-4-yl]amino]ethanol;hydrochloride.
What is the SMILES notation for 2-[[2-(4-chloroanilino)quinazolin-4-yl]amino]ethanol;hydrochloride?
The canonical SMILES for 2-[[2-(4-chloroanilino)quinazolin-4-yl]amino]ethanol;hydrochloride is Cl.OCCNc1nc(Nc2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-[[2-(4-chloroanilino)quinazolin-4-yl]amino]ethanol;hydrochloride?
The InChIKey is CFBXCOBJSJNLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O.ClH/c17-11-5-7-12(8-6-11)19-16-20-14-4-2-1-3-13(14)15(21-16)18-9-10-22;/h1-8,22H,9-10H2,(H2,18,19,20,21);1H.
What are the key properties of 2-[[2-(4-chloroanilino)quinazolin-4-yl]amino]ethanol;hydrochloride?
2-[[2-(4-chloroanilino)quinazolin-4-yl]amino]ethanol;hydrochloride has a molecular weight of 351.24 g/mol, XLogP of 3.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chloroanilino)quinazolin-4-yl]amino]ethanol;hydrochloride is sourced from PubChem (CID 2951954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).