4-anilinoquinazolin-6-ol;ethane

C18H23N3O — CID 91520479

IUPAC4-anilinoquinazolin-6-ol;ethane
SMILESCC.CC.Oc1ccc2ncnc(Nc3ccccc3)c2c1
InChIInChI=1S/C14H11N3O.2C2H6/c18-11-6-7-13-12(8-11)14(16-9-15-13)17-10-4-2-1-3-5-10;2*1-2/h1-9,18H,(H,15,16,17);2*1-2H3
InChIKeyARNBHWFAPIBDJI-UHFFFAOYSA-N
MW297.40 g/mol
LogP5.13
Rot. Bonds2

About 4-anilinoquinazolin-6-ol;ethane

4-anilinoquinazolin-6-ol;ethane (PubChem CID 91520479) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-anilinoquinazolin-6-ol;ethane.

Molecular Properties

Compound Name4-anilinoquinazolin-6-ol;ethane
PubChem CID91520479
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name4-anilinoquinazolin-6-ol;ethane
SMILESCC.CC.Oc1ccc2ncnc(Nc3ccccc3)c2c1
InChIInChI=1S/C14H11N3O.2C2H6/c18-11-6-7-13-12(8-11)14(16-9-15-13)17-10-4-2-1-3-5-10;2*1-2/h1-9,18H,(H,15,16,17);2*1-2H3
InChIKeyARNBHWFAPIBDJI-UHFFFAOYSA-N
XLogP5.13
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,6-diphenylquinazolin-4-amine
CID 86766666
4-(quinazolin-4-ylamino)phenol;hydrochloride
CID 2790603
6,7-dimethyl-N-phenylquinazolin-4-amine;ethane;methane
CID 169425535
4-(2-methanidylanilino)quinazolin-6-ol;yttrium
CID 59465164
4-[(6,7-dimethylquinazolin-4-yl)amino]phenol
CID 18685574
3-[[6-(methylsulfonimidoyl)quinazolin-4-yl]amino]phenol
CID 42641380
6-(2-methoxyphenyl)-N-phenylquinazolin-4-amine
CID 3235342
6-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine
CID 132609713
6-methyl-N-(4-methylphenyl)quinazolin-4-amine
CID 5328827
N-(3-methylphenyl)quinazolin-4-amine
CID 659954
6-fluoro-N-phenylpyrido[3,4-d]pyrimidin-4-amine
CID 10633767
4-(4-phenylmethoxyanilino)quinazolin-7-ol
CID 135984119

Frequently Asked Questions

What is the IUPAC name of 4-anilinoquinazolin-6-ol;ethane?
The IUPAC name of 4-anilinoquinazolin-6-ol;ethane (CID 91520479) is 4-anilinoquinazolin-6-ol;ethane.
What is the SMILES notation for 4-anilinoquinazolin-6-ol;ethane?
The canonical SMILES for 4-anilinoquinazolin-6-ol;ethane is CC.CC.Oc1ccc2ncnc(Nc3ccccc3)c2c1.
What is the InChIKey of 4-anilinoquinazolin-6-ol;ethane?
The InChIKey is ARNBHWFAPIBDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O.2C2H6/c18-11-6-7-13-12(8-11)14(16-9-15-13)17-10-4-2-1-3-5-10;2*1-2/h1-9,18H,(H,15,16,17);2*1-2H3.
What are the key properties of 4-anilinoquinazolin-6-ol;ethane?
4-anilinoquinazolin-6-ol;ethane has a molecular weight of 297.40 g/mol, XLogP of 5.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilinoquinazolin-6-ol;ethane is sourced from PubChem (CID 91520479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).