2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol

C15H20ClN5O — CID 25178344

IUPAC2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol
SMILESCN1CCN(c2nc(NCCO)c3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C15H20ClN5O/c1-20-5-7-21(8-6-20)15-18-13-3-2-11(16)10-12(13)14(19-15)17-4-9-22/h2-3,10,22H,4-9H2,1H3,(H,17,18,19)
InChIKeyBQFFJFYYLYTLCC-UHFFFAOYSA-N
MW321.81 g/mol
LogP1.44
Rot. Bonds4

About 2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol

2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol (PubChem CID 25178344) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is 2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol
PubChem CID25178344
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC Name2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol
SMILESCN1CCN(c2nc(NCCO)c3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C15H20ClN5O/c1-20-5-7-21(8-6-20)15-18-13-3-2-11(16)10-12(13)14(19-15)17-4-9-22/h2-3,10,22H,4-9H2,1H3,(H,17,18,19)
InChIKeyBQFFJFYYLYTLCC-UHFFFAOYSA-N
XLogP1.44
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol with MolForge

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Related Compounds

3-[(6-Chloro-4-phenylquinazolin-2-yl)amino]propan-1-ol
CID 1904923
6-Chloro-4-phenyl-2-(piperazin-1-yl)quinazoline
CID 658787
6-Chloro-2-piperazin-1-yl-quinoline
CID 10264015
Diethyl-(2-morpholin-4-yl-quinazolin-4-yl)-amine
CID 6457762
Ethanol, 2-[4-(4-benzylaminoquinazolin-2-yl)piperazin-1-yl]-
CID 1158941
N-(2-(4-Morpholinyl)ethyl)-2-phenyl-4-quinazolinamine
CID 675240
(3-{[2-(4-Chlorophenyl)quinazolin-4-yl]amino}propyl)diethylamine
CID 1591101
2-({2-[(3,4-Dichlorophenyl)amino]-4-quinazolinyl}amino)ethanol hydrochloride
CID 2974249
2-(2-Phenylamino-quinazolin-4-ylamino)-ethanol
CID 9549592
N-(6-aminohexyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]quinazolin-4-amine
CID 12084393
N-(6-aminohexyl)-6-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]quinazolin-4-amine
CID 12084394
N'-[2-(4-Chloro-phenyl)-quinazolin-4-yl]-N,N-dimethyl-propane-1,3-diamine
CID 1591099

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol?
The IUPAC name of 2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol (CID 25178344) is 2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol is CN1CCN(c2nc(NCCO)c3cc(Cl)ccc3n2)CC1.
What is the InChIKey of 2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol?
The InChIKey is BQFFJFYYLYTLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O/c1-20-5-7-21(8-6-20)15-18-13-3-2-11(16)10-12(13)14(19-15)17-4-9-22/h2-3,10,22H,4-9H2,1H3,(H,17,18,19).
What are the key properties of 2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol?
2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol has a molecular weight of 321.81 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol is sourced from PubChem (CID 25178344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).