2-[2-hydroxyethyl-[3-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]amino]propyl]amino]ethanol

C24H30N4O3 — CID 69458152

IUPAC2-[2-hydroxyethyl-[3-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]amino]propyl]amino]ethanol
SMILESCOc1ccc(/C=C/c2nc(NCCCN(CCO)CCO)c3ccccc3n2)cc1
InChIInChI=1S/C24H30N4O3/c1-31-20-10-7-19(8-11-20)9-12-23-26-22-6-3-2-5-21(22)24(27-23)25-13-4-14-28(15-17-29)16-18-30/h2-3,5-12,29-30H,4,13-18H2,1H3,(H,25,26,27)/b12-9+
InChIKeyAAPMIAMVJZCFFV-FMIVXFBMSA-N
MW422.53 g/mol
LogP2.90
Rot. Bonds12

About 2-[2-hydroxyethyl-[3-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]amino]propyl]amino]ethanol

2-[2-hydroxyethyl-[3-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]amino]propyl]amino]ethanol (PubChem CID 69458152) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[3-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]amino]propyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[3-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]amino]propyl]amino]ethanol
PubChem CID69458152
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name2-[2-hydroxyethyl-[3-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]amino]propyl]amino]ethanol
SMILESCOc1ccc(/C=C/c2nc(NCCCN(CCO)CCO)c3ccccc3n2)cc1
InChIInChI=1S/C24H30N4O3/c1-31-20-10-7-19(8-11-20)9-12-23-26-22-6-3-2-5-21(22)24(27-23)25-13-4-14-28(15-17-29)16-18-30/h2-3,5-12,29-30H,4,13-18H2,1H3,(H,25,26,27)/b12-9+
InChIKeyAAPMIAMVJZCFFV-FMIVXFBMSA-N
XLogP2.90
TPSA90.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-hydroxyethyl-[3-[[3-[(E)-2-(4-methoxyphenyl)ethenyl]quinoxalin-2-yl]amino]propyl]amino]ethanol
CID 134112470
N',N'-diethyl-N-[2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]propane-1,3-diamine
CID 121453105
2-[(E)-2-(4-methoxyphenyl)ethenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]quinazolin-4-amine
CID 121453138
N-[6-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 121453058
N-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinazolin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 162650647
N'-[2-[2-(4-chlorophenyl)ethenyl]quinazolin-4-yl]octane-1,8-diamine
CID 69150856
N-ethyl-2-(2-phenylethenyl)quinazolin-4-amine
CID 58017075
2-[(E)-2-phenylethenyl]-N-(2-phenylethyl)quinazolin-4-amine
CID 5350492
N'-[2-[2-(4-chlorophenyl)ethenyl]quinazolin-4-yl]pentane-1,5-diamine;dihydrochloride
CID 69150434
N',N'-dimethyl-N-[2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-yl]propane-1,3-diamine
CID 121453113
N-[3-(3-aminopropoxy)propyl]-2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]quinazolin-4-amine
CID 68681681
2-[3-[[2-[(E)-2-(4-chlorophenyl)ethenyl]quinazolin-4-yl]amino]propyl]guanidine
CID 22667933

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[3-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]amino]propyl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[3-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]amino]propyl]amino]ethanol (CID 69458152) is 2-[2-hydroxyethyl-[3-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]amino]propyl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[3-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]amino]propyl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[3-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]amino]propyl]amino]ethanol is COc1ccc(/C=C/c2nc(NCCCN(CCO)CCO)c3ccccc3n2)cc1.
What is the InChIKey of 2-[2-hydroxyethyl-[3-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]amino]propyl]amino]ethanol?
The InChIKey is AAPMIAMVJZCFFV-FMIVXFBMSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-31-20-10-7-19(8-11-20)9-12-23-26-22-6-3-2-5-21(22)24(27-23)25-13-4-14-28(15-17-29)16-18-30/h2-3,5-12,29-30H,4,13-18H2,1H3,(H,25,26,27)/b12-9+.
What are the key properties of 2-[2-hydroxyethyl-[3-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]amino]propyl]amino]ethanol?
2-[2-hydroxyethyl-[3-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]amino]propyl]amino]ethanol has a molecular weight of 422.53 g/mol, XLogP of 2.90, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[3-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]amino]propyl]amino]ethanol is sourced from PubChem (CID 69458152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).