2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide

C25H26N4O6 — CID 91636652

IUPAC2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCCN3CCCC3=O)C21
InChIInChI=1S/C25H26N4O6/c1-34-18-10-9-16-21(22(18)35-2)25(33)29-17-7-4-3-6-15(17)24(32)28(23(16)29)14-19(30)26-11-13-27-12-5-8-20(27)31/h3-4,6-7,9-10,23H,5,8,11-14H2,1-2H3,(H,26,30)
InChIKeyYECGGOXIVOWKGS-UHFFFAOYSA-N
MW478.51 g/mol
LogP1.56
Rot. Bonds7

About 2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide

2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide (PubChem CID 91636652) has the molecular formula C25H26N4O6 and a molecular weight of 478.51 g/mol. Its IUPAC name is 2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
PubChem CID91636652
Molecular FormulaC25H26N4O6
Molecular Weight478.51 g/mol
Exact Mass478.19
IUPAC Name2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCCN3CCCC3=O)C21
InChIInChI=1S/C25H26N4O6/c1-34-18-10-9-16-21(22(18)35-2)25(33)29-17-7-4-3-6-15(17)24(32)28(23(16)29)14-19(30)26-11-13-27-12-5-8-20(27)31/h3-4,6-7,9-10,23H,5,8,11-14H2,1-2H3,(H,26,30)
InChIKeyYECGGOXIVOWKGS-UHFFFAOYSA-N
XLogP1.56
TPSA108.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.51
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetyl]amino]acetate
CID 91637627
2-[(6aR)-9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]-N-octylacetamide
CID 99992613
2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-heptylacetamide
CID 127253520
2-[(6aR)-9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]-N-prop-2-enylacetamide
CID 99987284
2-[(6aR)-9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 99986977
2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetic acid
CID 91636968
2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(1-methylpyrazol-4-yl)acetamide
CID 127254521
2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-pyridin-2-ylacetamide
CID 102565073
4-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(2-methoxyethyl)butanamide
CID 91637645
2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 91636532
3-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-propan-2-ylpropanamide
CID 91637376
2-[(6aS)-9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]-N-(1,3-benzodioxol-5-yl)acetamide
CID 99984221

Frequently Asked Questions

What is the IUPAC name of 2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide (CID 91636652) is 2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide is COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCCN3CCCC3=O)C21.
What is the InChIKey of 2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide?
The InChIKey is YECGGOXIVOWKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O6/c1-34-18-10-9-16-21(22(18)35-2)25(33)29-17-7-4-3-6-15(17)24(32)28(23(16)29)14-19(30)26-11-13-27-12-5-8-20(27)31/h3-4,6-7,9-10,23H,5,8,11-14H2,1-2H3,(H,26,30).
What are the key properties of 2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide?
2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide has a molecular weight of 478.51 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 91636652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).