N-(oxolan-2-ylmethyl)-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide

C20H23N3O3 — CID 6624752

IUPACN-(oxolan-2-ylmethyl)-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
SMILESO=C(CCCn1c(=O)c2cccn2c2ccccc21)NCC1CCCO1
InChIInChI=1S/C20H23N3O3/c24-19(21-14-15-6-5-13-26-15)10-4-12-23-17-8-2-1-7-16(17)22-11-3-9-18(22)20(23)25/h1-3,7-9,11,15H,4-6,10,12-14H2,(H,21,24)
InChIKeySKIRCAMOLKINOK-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.33
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide

N-(oxolan-2-ylmethyl)-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide (PubChem CID 6624752) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
PubChem CID6624752
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-(oxolan-2-ylmethyl)-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
SMILESO=C(CCCn1c(=O)c2cccn2c2ccccc21)NCC1CCCO1
InChIInChI=1S/C20H23N3O3/c24-19(21-14-15-6-5-13-26-15)10-4-12-23-17-8-2-1-7-16(17)22-11-3-9-18(22)20(23)25/h1-3,7-9,11,15H,4-6,10,12-14H2,(H,21,24)
InChIKeySKIRCAMOLKINOK-UHFFFAOYSA-N
XLogP2.33
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide (CID 6624752) is N-(oxolan-2-ylmethyl)-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide is O=C(CCCn1c(=O)c2cccn2c2ccccc21)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
The InChIKey is SKIRCAMOLKINOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-19(21-14-15-6-5-13-26-15)10-4-12-23-17-8-2-1-7-16(17)22-11-3-9-18(22)20(23)25/h1-3,7-9,11,15H,4-6,10,12-14H2,(H,21,24).
What are the key properties of N-(oxolan-2-ylmethyl)-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
N-(oxolan-2-ylmethyl)-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide has a molecular weight of 353.42 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide is sourced from PubChem (CID 6624752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).