2,3,7,7,10a-pentamethyl-6,6a,9,10-tetrahydro-5H-benzo[h]quinazoline-4,8-dione

C17H24N2O2 — CID 77460263

IUPAC2,3,7,7,10a-pentamethyl-6,6a,9,10-tetrahydro-5H-benzo[h]quinazoline-4,8-dione
SMILESCc1nc2c(c(=O)n1C)CCC1C(C)(C)C(=O)CCC21C
InChIInChI=1S/C17H24N2O2/c1-10-18-14-11(15(21)19(10)5)6-7-12-16(2,3)13(20)8-9-17(12,14)4/h12H,6-9H2,1-5H3
InChIKeyVIXBZJHMJUBEGT-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.30
Rot. Bonds

About 2,3,7,7,10a-pentamethyl-6,6a,9,10-tetrahydro-5H-benzo[h]quinazoline-4,8-dione

2,3,7,7,10a-pentamethyl-6,6a,9,10-tetrahydro-5H-benzo[h]quinazoline-4,8-dione (PubChem CID 77460263) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2,3,7,7,10a-pentamethyl-6,6a,9,10-tetrahydro-5H-benzo[h]quinazoline-4,8-dione.

Molecular Properties

Compound Name2,3,7,7,10a-pentamethyl-6,6a,9,10-tetrahydro-5H-benzo[h]quinazoline-4,8-dione
PubChem CID77460263
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2,3,7,7,10a-pentamethyl-6,6a,9,10-tetrahydro-5H-benzo[h]quinazoline-4,8-dione
SMILESCc1nc2c(c(=O)n1C)CCC1C(C)(C)C(=O)CCC21C
InChIInChI=1S/C17H24N2O2/c1-10-18-14-11(15(21)19(10)5)6-7-12-16(2,3)13(20)8-9-17(12,14)4/h12H,6-9H2,1-5H3
InChIKeyVIXBZJHMJUBEGT-UHFFFAOYSA-N
XLogP2.30
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,3,7,7,10a-pentamethyl-6,6a,9,10-tetrahydro-5H-benzo[h]quinazoline-4,8-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3,7,7,10a-pentamethyl-6,6a,9,10-tetrahydro-5H-benzo[h]quinazoline-4,8-dione?
The IUPAC name of 2,3,7,7,10a-pentamethyl-6,6a,9,10-tetrahydro-5H-benzo[h]quinazoline-4,8-dione (CID 77460263) is 2,3,7,7,10a-pentamethyl-6,6a,9,10-tetrahydro-5H-benzo[h]quinazoline-4,8-dione.
What is the SMILES notation for 2,3,7,7,10a-pentamethyl-6,6a,9,10-tetrahydro-5H-benzo[h]quinazoline-4,8-dione?
The canonical SMILES for 2,3,7,7,10a-pentamethyl-6,6a,9,10-tetrahydro-5H-benzo[h]quinazoline-4,8-dione is Cc1nc2c(c(=O)n1C)CCC1C(C)(C)C(=O)CCC21C.
What is the InChIKey of 2,3,7,7,10a-pentamethyl-6,6a,9,10-tetrahydro-5H-benzo[h]quinazoline-4,8-dione?
The InChIKey is VIXBZJHMJUBEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-10-18-14-11(15(21)19(10)5)6-7-12-16(2,3)13(20)8-9-17(12,14)4/h12H,6-9H2,1-5H3.
What are the key properties of 2,3,7,7,10a-pentamethyl-6,6a,9,10-tetrahydro-5H-benzo[h]quinazoline-4,8-dione?
2,3,7,7,10a-pentamethyl-6,6a,9,10-tetrahydro-5H-benzo[h]quinazoline-4,8-dione has a molecular weight of 288.39 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,7,10a-pentamethyl-6,6a,9,10-tetrahydro-5H-benzo[h]quinazoline-4,8-dione is sourced from PubChem (CID 77460263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).