8-ethoxy-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine

C16H19N3O — CID 162643954

IUPAC8-ethoxy-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine
SMILESCCOc1ccc2c(c1)CC(C)(C)c1c(N)ncnc1-2
InChIInChI=1S/C16H19N3O/c1-4-20-11-5-6-12-10(7-11)8-16(2,3)13-14(12)18-9-19-15(13)17/h5-7,9H,4,8H2,1-3H3,(H2,17,18,19)
InChIKeyNTNNAYHHCLASSM-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.96
Rot. Bonds2

About 8-ethoxy-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine

8-ethoxy-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine (PubChem CID 162643954) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 8-ethoxy-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine.

Molecular Properties

Compound Name8-ethoxy-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine
PubChem CID162643954
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name8-ethoxy-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine
SMILESCCOc1ccc2c(c1)CC(C)(C)c1c(N)ncnc1-2
InChIInChI=1S/C16H19N3O/c1-4-20-11-5-6-12-10(7-11)8-16(2,3)13-14(12)18-9-19-15(13)17/h5-7,9H,4,8H2,1-3H3,(H2,17,18,19)
InChIKeyNTNNAYHHCLASSM-UHFFFAOYSA-N
XLogP2.96
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine?
The IUPAC name of 8-ethoxy-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine (CID 162643954) is 8-ethoxy-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine.
What is the SMILES notation for 8-ethoxy-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine?
The canonical SMILES for 8-ethoxy-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine is CCOc1ccc2c(c1)CC(C)(C)c1c(N)ncnc1-2.
What is the InChIKey of 8-ethoxy-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine?
The InChIKey is NTNNAYHHCLASSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-4-20-11-5-6-12-10(7-11)8-16(2,3)13-14(12)18-9-19-15(13)17/h5-7,9H,4,8H2,1-3H3,(H2,17,18,19).
What are the key properties of 8-ethoxy-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine?
8-ethoxy-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine has a molecular weight of 269.35 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine is sourced from PubChem (CID 162643954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).