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

C16H19N3O2 — CID 135399531

IUPAC2-(4-ethoxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCCOc1ccc(Nc2nc3c(c(=O)[nH]2)CCCC3)cc1
InChIInChI=1S/C16H19N3O2/c1-2-21-12-9-7-11(8-10-12)17-16-18-14-6-4-3-5-13(14)15(20)19-16/h7-10H,2-6H2,1H3,(H2,17,18,19,20)
InChIKeyGQQDPNUUUCFDAF-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.79
Rot. Bonds4

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

2-(4-ethoxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 135399531) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID135399531
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-(4-ethoxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCCOc1ccc(Nc2nc3c(c(=O)[nH]2)CCCC3)cc1
InChIInChI=1S/C16H19N3O2/c1-2-21-12-9-7-11(8-10-12)17-16-18-14-6-4-3-5-13(14)15(20)19-16/h7-10H,2-6H2,1H3,(H2,17,18,19,20)
InChIKeyGQQDPNUUUCFDAF-UHFFFAOYSA-N
XLogP2.79
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-(4-ethoxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 135399531) is 2-(4-ethoxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-ethoxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-ethoxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is CCOc1ccc(Nc2nc3c(c(=O)[nH]2)CCCC3)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is GQQDPNUUUCFDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-21-12-9-7-11(8-10-12)17-16-18-14-6-4-3-5-13(14)15(20)19-16/h7-10H,2-6H2,1H3,(H2,17,18,19,20).
What are the key properties of 2-(4-ethoxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-(4-ethoxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 285.35 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 135399531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).