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

C24H23N5O3 — CID 91638546

IUPAC4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3C12)NCCc1cnc[nH]1
InChIInChI=1S/C24H23N5O3/c30-21(26-12-11-16-14-25-15-27-16)10-5-13-28-22-17-6-1-2-7-18(17)24(32)29(22)20-9-4-3-8-19(20)23(28)31/h1-4,6-9,14-15,22H,5,10-13H2,(H,25,27)(H,26,30)
InChIKeyGLIZUAOGCMHKEY-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.66
Rot. Bonds7

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

4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide (PubChem CID 91638546) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide
PubChem CID91638546
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3C12)NCCc1cnc[nH]1
InChIInChI=1S/C24H23N5O3/c30-21(26-12-11-16-14-25-15-27-16)10-5-13-28-22-17-6-1-2-7-18(17)24(32)29(22)20-9-4-3-8-19(20)23(28)31/h1-4,6-9,14-15,22H,5,10-13H2,(H,25,27)(H,26,30)
InChIKeyGLIZUAOGCMHKEY-UHFFFAOYSA-N
XLogP2.66
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6aR)-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 99994880
4-[(6aS)-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]-N-[2-(furan-2-yl)ethyl]butanamide
CID 99986753
6-[(6aS)-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]-N-[2-(4-hydroxyphenyl)ethyl]hexanamide
CID 125429867
6-[(6aR)-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]-N-[2-(furan-2-yl)ethyl]hexanamide
CID 99997401
4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(2-methylpropyl)butanamide
CID 91636724
6-[(6aS)-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]-N-(pyridin-3-ylmethyl)hexanamide
CID 99991887
4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(1H-imidazol-2-yl)butanamide
CID 127253247
4-[(6aS)-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]-N-propan-2-ylbutanamide
CID 99987732
3-[(6aS)-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 125433388
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-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(furan-2-ylmethyl)butanamide
CID 91638441

Frequently Asked Questions

What is the IUPAC name of 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide?
The IUPAC name of 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide (CID 91638546) is 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide.
What is the SMILES notation for 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide?
The canonical SMILES for 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide is O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3C12)NCCc1cnc[nH]1.
What is the InChIKey of 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide?
The InChIKey is GLIZUAOGCMHKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c30-21(26-12-11-16-14-25-15-27-16)10-5-13-28-22-17-6-1-2-7-18(17)24(32)29(22)20-9-4-3-8-19(20)23(28)31/h1-4,6-9,14-15,22H,5,10-13H2,(H,25,27)(H,26,30).
What are the key properties of 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide?
4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide has a molecular weight of 429.48 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 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-(1H-imidazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 91638546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).