2-[[2-(3-chloro-2-methylanilino)quinazolin-4-yl]amino]ethanol;hydrochloride

C17H18Cl2N4O — CID 2976153

IUPAC2-[[2-(3-chloro-2-methylanilino)quinazolin-4-yl]amino]ethanol;hydrochloride
SMILESCc1c(Cl)cccc1Nc1nc(NCCO)c2ccccc2n1.Cl
InChIInChI=1S/C17H17ClN4O.ClH/c1-11-13(18)6-4-8-14(11)20-17-21-15-7-3-2-5-12(15)16(22-17)19-9-10-23;/h2-8,23H,9-10H2,1H3,(H2,19,20,21,22);1H
InChIKeyJUZNXWNRMSWKBF-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.16
Rot. Bonds5

About 2-[[2-(3-chloro-2-methylanilino)quinazolin-4-yl]amino]ethanol;hydrochloride

2-[[2-(3-chloro-2-methylanilino)quinazolin-4-yl]amino]ethanol;hydrochloride (PubChem CID 2976153) has the molecular formula C17H18Cl2N4O and a molecular weight of 365.26 g/mol. Its IUPAC name is 2-[[2-(3-chloro-2-methylanilino)quinazolin-4-yl]amino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[[2-(3-chloro-2-methylanilino)quinazolin-4-yl]amino]ethanol;hydrochloride
PubChem CID2976153
Molecular FormulaC17H18Cl2N4O
Molecular Weight365.26 g/mol
Exact Mass364.09
IUPAC Name2-[[2-(3-chloro-2-methylanilino)quinazolin-4-yl]amino]ethanol;hydrochloride
SMILESCc1c(Cl)cccc1Nc1nc(NCCO)c2ccccc2n1.Cl
InChIInChI=1S/C17H17ClN4O.ClH/c1-11-13(18)6-4-8-14(11)20-17-21-15-7-3-2-5-12(15)16(22-17)19-9-10-23;/h2-8,23H,9-10H2,1H3,(H2,19,20,21,22);1H
InChIKeyJUZNXWNRMSWKBF-UHFFFAOYSA-N
XLogP4.16
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-Chloro-4-phenylquinazolin-2-yl)amino]propan-1-ol
CID 1904923
4-(3-Chloroanilino)quinazoline
CID 128872
2,4-Quinazolinediamine, 5-chloro-
CID 205130
N~2~-(3-chloro-4-methylphenyl)-2,4-quinazolinediamine hydrochloride
CID 2972826
CID 2971918
CID 2971918
2-N-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine
CID 2227970
2-({2-[(4-Bromophenyl)amino]-4-quinazolinyl}amino)ethanol hydrochloride
CID 2952991
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
N-[(4-chlorophenyl)methyl]quinazolin-4-amine
CID 5328014
N-(3-chloro-4-methylphenyl)-6-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
CID 921268

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chloro-2-methylanilino)quinazolin-4-yl]amino]ethanol;hydrochloride?
The IUPAC name of 2-[[2-(3-chloro-2-methylanilino)quinazolin-4-yl]amino]ethanol;hydrochloride (CID 2976153) is 2-[[2-(3-chloro-2-methylanilino)quinazolin-4-yl]amino]ethanol;hydrochloride.
What is the SMILES notation for 2-[[2-(3-chloro-2-methylanilino)quinazolin-4-yl]amino]ethanol;hydrochloride?
The canonical SMILES for 2-[[2-(3-chloro-2-methylanilino)quinazolin-4-yl]amino]ethanol;hydrochloride is Cc1c(Cl)cccc1Nc1nc(NCCO)c2ccccc2n1.Cl.
What is the InChIKey of 2-[[2-(3-chloro-2-methylanilino)quinazolin-4-yl]amino]ethanol;hydrochloride?
The InChIKey is JUZNXWNRMSWKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O.ClH/c1-11-13(18)6-4-8-14(11)20-17-21-15-7-3-2-5-12(15)16(22-17)19-9-10-23;/h2-8,23H,9-10H2,1H3,(H2,19,20,21,22);1H.
What are the key properties of 2-[[2-(3-chloro-2-methylanilino)quinazolin-4-yl]amino]ethanol;hydrochloride?
2-[[2-(3-chloro-2-methylanilino)quinazolin-4-yl]amino]ethanol;hydrochloride has a molecular weight of 365.26 g/mol, XLogP of 4.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chloro-2-methylanilino)quinazolin-4-yl]amino]ethanol;hydrochloride is sourced from PubChem (CID 2976153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).