1-(4-aminophenyl)-2-(quinazolin-4-ylamino)ethanol

C16H16N4O — CID 60894016

IUPAC1-(4-aminophenyl)-2-(quinazolin-4-ylamino)ethanol
SMILESNc1ccc(C(O)CNc2ncnc3ccccc23)cc1
InChIInChI=1S/C16H16N4O/c17-12-7-5-11(6-8-12)15(21)9-18-16-13-3-1-2-4-14(13)19-10-20-16/h1-8,10,15,21H,9,17H2,(H,18,19,20)
InChIKeyWKNBFMKEFZVVLF-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.36
Rot. Bonds4

About 1-(4-aminophenyl)-2-(quinazolin-4-ylamino)ethanol

1-(4-aminophenyl)-2-(quinazolin-4-ylamino)ethanol (PubChem CID 60894016) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(quinazolin-4-ylamino)ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(quinazolin-4-ylamino)ethanol
PubChem CID60894016
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name1-(4-aminophenyl)-2-(quinazolin-4-ylamino)ethanol
SMILESNc1ccc(C(O)CNc2ncnc3ccccc23)cc1
InChIInChI=1S/C16H16N4O/c17-12-7-5-11(6-8-12)15(21)9-18-16-13-3-1-2-4-14(13)19-10-20-16/h1-8,10,15,21H,9,17H2,(H,18,19,20)
InChIKeyWKNBFMKEFZVVLF-UHFFFAOYSA-N
XLogP2.36
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethanol
CID 93317181
3-methyl-1-(quinazolin-4-ylamino)butan-2-ol
CID 113240545
(1R)-1-(2-fluorophenyl)-2-(quinazolin-4-ylamino)ethanol
CID 94817432
1-(4-aminophenyl)-2-(cinnolin-4-ylamino)ethanol
CID 63586762
1-(4-aminophenyl)-2-(phthalazin-1-ylamino)ethanol
CID 60876634
3-ethyl-1-N-quinazolin-4-ylpentane-1,2-diamine
CID 106286875
3-methyl-4-(quinazolin-4-ylamino)butan-1-ol
CID 66106208
4-N-(2-phenylpropyl)quinazoline-4,7-diamine
CID 104591254
2-[(5-aminopyrimidin-4-yl)amino]-1-phenylethanol
CID 79915703
1-(4-aminophenyl)-2-(1,3-benzothiazol-2-ylamino)ethanol
CID 60874725
2-[(quinazolin-4-ylamino)methyl]butanoic acid
CID 65226835
N-(2-phenoxy-2-phenylethyl)quinazolin-4-amine
CID 121380379

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(quinazolin-4-ylamino)ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-(quinazolin-4-ylamino)ethanol (CID 60894016) is 1-(4-aminophenyl)-2-(quinazolin-4-ylamino)ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-(quinazolin-4-ylamino)ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-(quinazolin-4-ylamino)ethanol is Nc1ccc(C(O)CNc2ncnc3ccccc23)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-(quinazolin-4-ylamino)ethanol?
The InChIKey is WKNBFMKEFZVVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-12-7-5-11(6-8-12)15(21)9-18-16-13-3-1-2-4-14(13)19-10-20-16/h1-8,10,15,21H,9,17H2,(H,18,19,20).
What are the key properties of 1-(4-aminophenyl)-2-(quinazolin-4-ylamino)ethanol?
1-(4-aminophenyl)-2-(quinazolin-4-ylamino)ethanol has a molecular weight of 280.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(quinazolin-4-ylamino)ethanol is sourced from PubChem (CID 60894016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).