9,10-dimethoxy-6-[2-oxo-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl)ethyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione

C30H32N4O6 — CID 127253600

IUPAC9,10-dimethoxy-6-[2-oxo-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl)ethyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
SMILESCOc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)N3CC4CC(C3)C3CCCC(=O)N3C4)C21
InChIInChI=1S/C30H32N4O6/c1-39-23-11-10-20-26(27(23)40-2)30(38)34-22-7-4-3-6-19(22)29(37)33(28(20)34)16-25(36)31-13-17-12-18(15-31)21-8-5-9-24(35)32(21)14-17/h3-4,6-7,10-11,17-18,21,28H,5,8-9,12-16H2,1-2H3
InChIKeyAYXVRVLRTNRVFZ-UHFFFAOYSA-N
MW544.61 g/mol
LogP2.68
Rot. Bonds4

About 9,10-dimethoxy-6-[2-oxo-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl)ethyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione

9,10-dimethoxy-6-[2-oxo-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl)ethyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione (PubChem CID 127253600) has the molecular formula C30H32N4O6 and a molecular weight of 544.61 g/mol. Its IUPAC name is 9,10-dimethoxy-6-[2-oxo-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl)ethyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione.

Molecular Properties

Compound Name9,10-dimethoxy-6-[2-oxo-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl)ethyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
PubChem CID127253600
Molecular FormulaC30H32N4O6
Molecular Weight544.61 g/mol
Exact Mass544.23
IUPAC Name9,10-dimethoxy-6-[2-oxo-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl)ethyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
SMILESCOc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)N3CC4CC(C3)C3CCCC(=O)N3C4)C21
InChIInChI=1S/C30H32N4O6/c1-39-23-11-10-20-26(27(23)40-2)30(38)34-22-7-4-3-6-19(22)29(37)33(28(20)34)16-25(36)31-13-17-12-18(15-31)21-8-5-9-24(35)32(21)14-17/h3-4,6-7,10-11,17-18,21,28H,5,8-9,12-16H2,1-2H3
InChIKeyAYXVRVLRTNRVFZ-UHFFFAOYSA-N
XLogP2.68
TPSA99.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.61
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9,10-dimethoxy-6-[2-oxo-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl)ethyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,10-dimethoxy-6-[2-oxo-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl)ethyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
The IUPAC name of 9,10-dimethoxy-6-[2-oxo-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl)ethyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione (CID 127253600) is 9,10-dimethoxy-6-[2-oxo-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl)ethyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione.
What is the SMILES notation for 9,10-dimethoxy-6-[2-oxo-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl)ethyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
The canonical SMILES for 9,10-dimethoxy-6-[2-oxo-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl)ethyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione is COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)N3CC4CC(C3)C3CCCC(=O)N3C4)C21.
What is the InChIKey of 9,10-dimethoxy-6-[2-oxo-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl)ethyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
The InChIKey is AYXVRVLRTNRVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O6/c1-39-23-11-10-20-26(27(23)40-2)30(38)34-22-7-4-3-6-19(22)29(37)33(28(20)34)16-25(36)31-13-17-12-18(15-31)21-8-5-9-24(35)32(21)14-17/h3-4,6-7,10-11,17-18,21,28H,5,8-9,12-16H2,1-2H3.
What are the key properties of 9,10-dimethoxy-6-[2-oxo-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl)ethyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
9,10-dimethoxy-6-[2-oxo-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl)ethyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione has a molecular weight of 544.61 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethoxy-6-[2-oxo-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl)ethyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione is sourced from PubChem (CID 127253600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).