3-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]phenol;hydrochloride

C18H21ClN4O — CID 20982605

IUPAC3-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]phenol;hydrochloride
SMILESCN(C)CCc1nc(Nc2cccc(O)c2)c2ccccc2n1.Cl
InChIInChI=1S/C18H20N4O.ClH/c1-22(2)11-10-17-20-16-9-4-3-8-15(16)18(21-17)19-13-6-5-7-14(23)12-13;/h3-9,12,23H,10-11H2,1-2H3,(H,19,20,21);1H
InChIKeyANNXMDJLGZZTBV-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.60
Rot. Bonds5

About 3-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]phenol;hydrochloride

3-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]phenol;hydrochloride (PubChem CID 20982605) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is 3-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]phenol;hydrochloride.

Molecular Properties

Compound Name3-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]phenol;hydrochloride
PubChem CID20982605
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name3-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]phenol;hydrochloride
SMILESCN(C)CCc1nc(Nc2cccc(O)c2)c2ccccc2n1.Cl
InChIInChI=1S/C18H20N4O.ClH/c1-22(2)11-10-17-20-16-9-4-3-8-15(16)18(21-17)19-13-6-5-7-14(23)12-13;/h3-9,12,23H,10-11H2,1-2H3,(H,19,20,21);1H
InChIKeyANNXMDJLGZZTBV-UHFFFAOYSA-N
XLogP3.60
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]benzoic acid;hydrochloride
CID 20982609
2-[2-(dimethylamino)ethyl]-N-methylquinazolin-4-amine
CID 1414265
3-[(2-chloroquinazolin-4-yl)amino]phenol
CID 22692943
3-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol
CID 58797282
4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]butanoic acid;hydrochloride
CID 20982620
(2R)-2-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]-3-hydroxypropanoic acid
CID 1424418
3-[[2-(furan-2-yl)quinazolin-4-yl]amino]phenol
CID 91964191
2-(fluoromethyl)-N-phenylquinazolin-4-amine
CID 67336350
2-(aminomethyl)-N-(3-bromophenyl)quinazolin-4-amine
CID 84608604
(2R)-2-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]-4-methylsulfanylbutanoic acid
CID 2061832
3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenol chloride
CID 53351223
N-(4-methoxyphenyl)-2-propylquinazolin-4-amine
CID 10756141

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]phenol;hydrochloride?
The IUPAC name of 3-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]phenol;hydrochloride (CID 20982605) is 3-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]phenol;hydrochloride.
What is the SMILES notation for 3-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]phenol;hydrochloride?
The canonical SMILES for 3-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]phenol;hydrochloride is CN(C)CCc1nc(Nc2cccc(O)c2)c2ccccc2n1.Cl.
What is the InChIKey of 3-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]phenol;hydrochloride?
The InChIKey is ANNXMDJLGZZTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O.ClH/c1-22(2)11-10-17-20-16-9-4-3-8-15(16)18(21-17)19-13-6-5-7-14(23)12-13;/h3-9,12,23H,10-11H2,1-2H3,(H,19,20,21);1H.
What are the key properties of 3-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]phenol;hydrochloride?
3-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]phenol;hydrochloride has a molecular weight of 344.85 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]phenol;hydrochloride is sourced from PubChem (CID 20982605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).