4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(2-methylpropyl)butanamide

C23H25N3O3 — CID 91636724

IUPAC4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(2-methylpropyl)butanamide
SMILESCC(C)CNC(=O)CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3C12
InChIInChI=1S/C23H25N3O3/c1-15(2)14-24-20(27)12-7-13-25-21-16-8-3-4-9-17(16)23(29)26(21)19-11-6-5-10-18(19)22(25)28/h3-6,8-11,15,21H,7,12-14H2,1-2H3,(H,24,27)
InChIKeyMRBLEZOXLZFCOA-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.35
Rot. Bonds6

About 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(2-methylpropyl)butanamide

4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(2-methylpropyl)butanamide (PubChem CID 91636724) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(2-methylpropyl)butanamide
PubChem CID91636724
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(2-methylpropyl)butanamide
SMILESCC(C)CNC(=O)CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3C12
InChIInChI=1S/C23H25N3O3/c1-15(2)14-24-20(27)12-7-13-25-21-16-8-3-4-9-17(16)23(29)26(21)19-11-6-5-10-18(19)22(25)28/h3-6,8-11,15,21H,7,12-14H2,1-2H3,(H,24,27)
InChIKeyMRBLEZOXLZFCOA-UHFFFAOYSA-N
XLogP3.35
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(2-methylpropyl)hexanamide
CID 91638179
6-[(6aR)-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]-N-(2-methylpropyl)hexanamide
CID 99994661
4-[(6aS)-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]-N-propan-2-ylbutanamide
CID 99987732
6-[(6aR)-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]-N-propan-2-ylhexanamide
CID 99993178
3-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(3-propan-2-yloxypropyl)propanamide
CID 91636919
4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(furan-2-ylmethyl)butanamide
CID 91638441
4-[(6aS)-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]-N-[2-(furan-2-yl)ethyl]butanamide
CID 99986753
6-[(6aR)-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]-N-(furan-2-ylmethyl)hexanamide
CID 99988488
6-[(6aS)-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]-N-[2-(4-hydroxyphenyl)ethyl]hexanamide
CID 125429867
4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide
CID 91638546
3-[(6aR)-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]propanoic acid
CID 42507417
6-[(6aS)-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]-N-(pyridin-3-ylmethyl)hexanamide
CID 99991887

Frequently Asked Questions

What is the IUPAC name of 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(2-methylpropyl)butanamide?
The IUPAC name of 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(2-methylpropyl)butanamide (CID 91636724) is 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(2-methylpropyl)butanamide?
The canonical SMILES for 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(2-methylpropyl)butanamide is CC(C)CNC(=O)CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3C12.
What is the InChIKey of 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(2-methylpropyl)butanamide?
The InChIKey is MRBLEZOXLZFCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15(2)14-24-20(27)12-7-13-25-21-16-8-3-4-9-17(16)23(29)26(21)19-11-6-5-10-18(19)22(25)28/h3-6,8-11,15,21H,7,12-14H2,1-2H3,(H,24,27).
What are the key properties of 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(2-methylpropyl)butanamide?
4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(2-methylpropyl)butanamide has a molecular weight of 391.47 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 91636724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).