2-anilino-8-propan-2-ylquinazolin-7-ol

C17H17N3O — CID 135402985

IUPAC2-anilino-8-propan-2-ylquinazolin-7-ol
SMILESCC(C)c1c(O)ccc2cnc(Nc3ccccc3)nc12
InChIInChI=1S/C17H17N3O/c1-11(2)15-14(21)9-8-12-10-18-17(20-16(12)15)19-13-6-4-3-5-7-13/h3-11,21H,1-2H3,(H,18,19,20)
InChIKeyZNEYFIGWZSINHD-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.20
Rot. Bonds3

About 2-anilino-8-propan-2-ylquinazolin-7-ol

2-anilino-8-propan-2-ylquinazolin-7-ol (PubChem CID 135402985) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-anilino-8-propan-2-ylquinazolin-7-ol.

Molecular Properties

Compound Name2-anilino-8-propan-2-ylquinazolin-7-ol
PubChem CID135402985
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-anilino-8-propan-2-ylquinazolin-7-ol
SMILESCC(C)c1c(O)ccc2cnc(Nc3ccccc3)nc12
InChIInChI=1S/C17H17N3O/c1-11(2)15-14(21)9-8-12-10-18-17(20-16(12)15)19-13-6-4-3-5-7-13/h3-11,21H,1-2H3,(H,18,19,20)
InChIKeyZNEYFIGWZSINHD-UHFFFAOYSA-N
XLogP4.20
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-propan-2-ylquinazolin-7-ol?
The IUPAC name of 2-anilino-8-propan-2-ylquinazolin-7-ol (CID 135402985) is 2-anilino-8-propan-2-ylquinazolin-7-ol.
What is the SMILES notation for 2-anilino-8-propan-2-ylquinazolin-7-ol?
The canonical SMILES for 2-anilino-8-propan-2-ylquinazolin-7-ol is CC(C)c1c(O)ccc2cnc(Nc3ccccc3)nc12.
What is the InChIKey of 2-anilino-8-propan-2-ylquinazolin-7-ol?
The InChIKey is ZNEYFIGWZSINHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11(2)15-14(21)9-8-12-10-18-17(20-16(12)15)19-13-6-4-3-5-7-13/h3-11,21H,1-2H3,(H,18,19,20).
What are the key properties of 2-anilino-8-propan-2-ylquinazolin-7-ol?
2-anilino-8-propan-2-ylquinazolin-7-ol has a molecular weight of 279.34 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-propan-2-ylquinazolin-7-ol is sourced from PubChem (CID 135402985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).