2-(ethylamino)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one

C19H23N3O — CID 71584072

IUPAC2-(ethylamino)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one
SMILESC=CCn1c(NCC)nc2c(c1=O)C(C)(C)Cc1ccccc1-2
InChIInChI=1S/C19H23N3O/c1-5-11-22-17(23)15-16(21-18(22)20-6-2)14-10-8-7-9-13(14)12-19(15,3)4/h5,7-10H,1,6,11-12H2,2-4H3,(H,20,21)
InChIKeyINSPVMGPEAKINN-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.36
Rot. Bonds4

About 2-(ethylamino)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one

2-(ethylamino)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one (PubChem CID 71584072) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(ethylamino)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one.

Molecular Properties

Compound Name2-(ethylamino)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one
PubChem CID71584072
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2-(ethylamino)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one
SMILESC=CCn1c(NCC)nc2c(c1=O)C(C)(C)Cc1ccccc1-2
InChIInChI=1S/C19H23N3O/c1-5-11-22-17(23)15-16(21-18(22)20-6-2)14-10-8-7-9-13(14)12-19(15,3)4/h5,7-10H,1,6,11-12H2,2-4H3,(H,20,21)
InChIKeyINSPVMGPEAKINN-UHFFFAOYSA-N
XLogP3.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one?
The IUPAC name of 2-(ethylamino)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one (CID 71584072) is 2-(ethylamino)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one.
What is the SMILES notation for 2-(ethylamino)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one?
The canonical SMILES for 2-(ethylamino)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one is C=CCn1c(NCC)nc2c(c1=O)C(C)(C)Cc1ccccc1-2.
What is the InChIKey of 2-(ethylamino)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one?
The InChIKey is INSPVMGPEAKINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-5-11-22-17(23)15-16(21-18(22)20-6-2)14-10-8-7-9-13(14)12-19(15,3)4/h5,7-10H,1,6,11-12H2,2-4H3,(H,20,21).
What are the key properties of 2-(ethylamino)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one?
2-(ethylamino)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one has a molecular weight of 309.41 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one is sourced from PubChem (CID 71584072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).