2-(2-hydroxy-5-methylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C15H17N3O2 — CID 135611958

IUPAC2-(2-hydroxy-5-methylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCc1ccc(O)c(Nc2nc3c(c(=O)[nH]2)CCCC3)c1
InChIInChI=1S/C15H17N3O2/c1-9-6-7-13(19)12(8-9)17-15-16-11-5-3-2-4-10(11)14(20)18-15/h6-8,19H,2-5H2,1H3,(H2,16,17,18,20)
InChIKeySHNHDGUEGMSCNZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.41
Rot. Bonds2

About 2-(2-hydroxy-5-methylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-(2-hydroxy-5-methylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 135611958) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(2-hydroxy-5-methylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-hydroxy-5-methylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID135611958
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(2-hydroxy-5-methylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCc1ccc(O)c(Nc2nc3c(c(=O)[nH]2)CCCC3)c1
InChIInChI=1S/C15H17N3O2/c1-9-6-7-13(19)12(8-9)17-15-16-11-5-3-2-4-10(11)14(20)18-15/h6-8,19H,2-5H2,1H3,(H2,16,17,18,20)
InChIKeySHNHDGUEGMSCNZ-UHFFFAOYSA-N
XLogP2.41
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-5-methylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-(2-hydroxy-5-methylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 135611958) is 2-(2-hydroxy-5-methylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2-hydroxy-5-methylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-(2-hydroxy-5-methylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is Cc1ccc(O)c(Nc2nc3c(c(=O)[nH]2)CCCC3)c1.
What is the InChIKey of 2-(2-hydroxy-5-methylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is SHNHDGUEGMSCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-6-7-13(19)12(8-9)17-15-16-11-5-3-2-4-10(11)14(20)18-15/h6-8,19H,2-5H2,1H3,(H2,16,17,18,20).
What are the key properties of 2-(2-hydroxy-5-methylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-(2-hydroxy-5-methylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 271.32 g/mol, XLogP of 2.41, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-5-methylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 135611958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).