8-methoxy-2,5,5-trimethyl-6H-benzo[h]quinazolin-4-amine

C16H19N3O — CID 162646658

IUPAC8-methoxy-2,5,5-trimethyl-6H-benzo[h]quinazolin-4-amine
SMILESCOc1ccc2c(c1)CC(C)(C)c1c(N)nc(C)nc1-2
InChIInChI=1S/C16H19N3O/c1-9-18-14-12-6-5-11(20-4)7-10(12)8-16(2,3)13(14)15(17)19-9/h5-7H,8H2,1-4H3,(H2,17,18,19)
InChIKeyGAIABAJXPGBPTF-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.88
Rot. Bonds1

About 8-methoxy-2,5,5-trimethyl-6H-benzo[h]quinazolin-4-amine

8-methoxy-2,5,5-trimethyl-6H-benzo[h]quinazolin-4-amine (PubChem CID 162646658) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 8-methoxy-2,5,5-trimethyl-6H-benzo[h]quinazolin-4-amine.

Molecular Properties

Compound Name8-methoxy-2,5,5-trimethyl-6H-benzo[h]quinazolin-4-amine
PubChem CID162646658
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name8-methoxy-2,5,5-trimethyl-6H-benzo[h]quinazolin-4-amine
SMILESCOc1ccc2c(c1)CC(C)(C)c1c(N)nc(C)nc1-2
InChIInChI=1S/C16H19N3O/c1-9-18-14-12-6-5-11(20-4)7-10(12)8-16(2,3)13(14)15(17)19-9/h5-7H,8H2,1-4H3,(H2,17,18,19)
InChIKeyGAIABAJXPGBPTF-UHFFFAOYSA-N
XLogP2.88
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2,5,5-trimethyl-6H-benzo[h]quinazolin-4-amine?
The IUPAC name of 8-methoxy-2,5,5-trimethyl-6H-benzo[h]quinazolin-4-amine (CID 162646658) is 8-methoxy-2,5,5-trimethyl-6H-benzo[h]quinazolin-4-amine.
What is the SMILES notation for 8-methoxy-2,5,5-trimethyl-6H-benzo[h]quinazolin-4-amine?
The canonical SMILES for 8-methoxy-2,5,5-trimethyl-6H-benzo[h]quinazolin-4-amine is COc1ccc2c(c1)CC(C)(C)c1c(N)nc(C)nc1-2.
What is the InChIKey of 8-methoxy-2,5,5-trimethyl-6H-benzo[h]quinazolin-4-amine?
The InChIKey is GAIABAJXPGBPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-9-18-14-12-6-5-11(20-4)7-10(12)8-16(2,3)13(14)15(17)19-9/h5-7H,8H2,1-4H3,(H2,17,18,19).
What are the key properties of 8-methoxy-2,5,5-trimethyl-6H-benzo[h]quinazolin-4-amine?
8-methoxy-2,5,5-trimethyl-6H-benzo[h]quinazolin-4-amine has a molecular weight of 269.35 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2,5,5-trimethyl-6H-benzo[h]quinazolin-4-amine is sourced from PubChem (CID 162646658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).