2-[[2-(5-chloro-2-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride

C17H18Cl2N4O2 — CID 2973041

IUPAC2-[[2-(5-chloro-2-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride
SMILESCOc1ccc(Cl)cc1Nc1nc(NCCO)c2ccccc2n1.Cl
InChIInChI=1S/C17H17ClN4O2.ClH/c1-24-15-7-6-11(18)10-14(15)21-17-20-13-5-3-2-4-12(13)16(22-17)19-8-9-23;/h2-7,10,23H,8-9H2,1H3,(H2,19,20,21,22);1H
InChIKeyLHJVFFWGOOASPO-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.86
Rot. Bonds6

About 2-[[2-(5-chloro-2-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride

2-[[2-(5-chloro-2-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride (PubChem CID 2973041) has the molecular formula C17H18Cl2N4O2 and a molecular weight of 381.26 g/mol. Its IUPAC name is 2-[[2-(5-chloro-2-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[[2-(5-chloro-2-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride
PubChem CID2973041
Molecular FormulaC17H18Cl2N4O2
Molecular Weight381.26 g/mol
Exact Mass380.08
IUPAC Name2-[[2-(5-chloro-2-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride
SMILESCOc1ccc(Cl)cc1Nc1nc(NCCO)c2ccccc2n1.Cl
InChIInChI=1S/C17H17ClN4O2.ClH/c1-24-15-7-6-11(18)10-14(15)21-17-20-13-5-3-2-4-12(13)16(22-17)19-8-9-23;/h2-7,10,23H,8-9H2,1H3,(H2,19,20,21,22);1H
InChIKeyLHJVFFWGOOASPO-UHFFFAOYSA-N
XLogP3.86
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(5-chloro-2-methoxyphenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 91963458
3-[[2-(2,4-dimethoxyanilino)quinazolin-4-yl]amino]propan-1-ol;hydrochloride
CID 52995704
2-N-(2-methoxyphenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 91963224
2-N-(2-methoxy-5-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 91963270
2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine
CID 91964049
N-(5-chloro-2-methoxyphenyl)-4-methylquinolin-2-amine;hydrochloride
CID 56728823
2-[[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]amino]ethanol
CID 171988113
2-N-(5-chloro-2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690554
2-[[2-(2-methoxy-5-methylanilino)quinazolin-4-yl]amino]butan-1-ol
CID 91964124
2-[[2-(2,5-dimethoxyanilino)quinazolin-4-yl]amino]propanoic acid
CID 91964007
2-[[4-(2-methoxyethylamino)quinazolin-2-yl]amino]phenol
CID 91963677
2-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 91963152

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloro-2-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride?
The IUPAC name of 2-[[2-(5-chloro-2-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride (CID 2973041) is 2-[[2-(5-chloro-2-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride.
What is the SMILES notation for 2-[[2-(5-chloro-2-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride?
The canonical SMILES for 2-[[2-(5-chloro-2-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride is COc1ccc(Cl)cc1Nc1nc(NCCO)c2ccccc2n1.Cl.
What is the InChIKey of 2-[[2-(5-chloro-2-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride?
The InChIKey is LHJVFFWGOOASPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2.ClH/c1-24-15-7-6-11(18)10-14(15)21-17-20-13-5-3-2-4-12(13)16(22-17)19-8-9-23;/h2-7,10,23H,8-9H2,1H3,(H2,19,20,21,22);1H.
What are the key properties of 2-[[2-(5-chloro-2-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride?
2-[[2-(5-chloro-2-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride has a molecular weight of 381.26 g/mol, XLogP of 3.86, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chloro-2-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride is sourced from PubChem (CID 2973041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).