(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethanol

C16H15N3O — CID 93317181

IUPAC(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethanol
SMILESO[C@H](CNc1ncnc2ccccc12)c1ccccc1
InChIInChI=1S/C16H15N3O/c20-15(12-6-2-1-3-7-12)10-17-16-13-8-4-5-9-14(13)18-11-19-16/h1-9,11,15,20H,10H2,(H,17,18,19)/t15-/m1/s1
InChIKeyXDYAKTVOWPPESP-OAHLLOKOSA-N
MW265.32 g/mol
LogP2.78
Rot. Bonds4

About (1S)-1-phenyl-2-(quinazolin-4-ylamino)ethanol

(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethanol (PubChem CID 93317181) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is (1S)-1-phenyl-2-(quinazolin-4-ylamino)ethanol.

Molecular Properties

Compound Name(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethanol
PubChem CID93317181
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethanol
SMILESO[C@H](CNc1ncnc2ccccc12)c1ccccc1
InChIInChI=1S/C16H15N3O/c20-15(12-6-2-1-3-7-12)10-17-16-13-8-4-5-9-14(13)18-11-19-16/h1-9,11,15,20H,10H2,(H,17,18,19)/t15-/m1/s1
InChIKeyXDYAKTVOWPPESP-OAHLLOKOSA-N
XLogP2.78
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-aminophenyl)-2-(quinazolin-4-ylamino)ethanol
CID 60894016
(1R)-1-(2-fluorophenyl)-2-(quinazolin-4-ylamino)ethanol
CID 94817432
3-methyl-1-(quinazolin-4-ylamino)butan-2-ol
CID 113240545
N-(2-phenoxy-2-phenylethyl)quinazolin-4-amine
CID 121380379
1-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol
CID 175604572
N-[(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethyl]benzamide
CID 121377408
2-[(quinazolin-4-ylamino)methyl]butanoic acid
CID 65226835
2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol
CID 80778733
3-methyl-4-(quinazolin-4-ylamino)butan-1-ol
CID 66106208
3-ethyl-1-N-quinazolin-4-ylpentane-1,2-diamine
CID 106286875
2-[(5-aminopyrimidin-4-yl)amino]-1-phenylethanol
CID 79915703
N-[2-(4-phenylphenoxy)propyl]quinazolin-4-amine
CID 20545319

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-2-(quinazolin-4-ylamino)ethanol?
The IUPAC name of (1S)-1-phenyl-2-(quinazolin-4-ylamino)ethanol (CID 93317181) is (1S)-1-phenyl-2-(quinazolin-4-ylamino)ethanol.
What is the SMILES notation for (1S)-1-phenyl-2-(quinazolin-4-ylamino)ethanol?
The canonical SMILES for (1S)-1-phenyl-2-(quinazolin-4-ylamino)ethanol is O[C@H](CNc1ncnc2ccccc12)c1ccccc1.
What is the InChIKey of (1S)-1-phenyl-2-(quinazolin-4-ylamino)ethanol?
The InChIKey is XDYAKTVOWPPESP-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H15N3O/c20-15(12-6-2-1-3-7-12)10-17-16-13-8-4-5-9-14(13)18-11-19-16/h1-9,11,15,20H,10H2,(H,17,18,19)/t15-/m1/s1.
What are the key properties of (1S)-1-phenyl-2-(quinazolin-4-ylamino)ethanol?
(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethanol has a molecular weight of 265.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-2-(quinazolin-4-ylamino)ethanol is sourced from PubChem (CID 93317181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).