5-[(3,5-dimethylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)pyrrolo[1,2-a]quinoxaline-7-carboxamide

C26H27N3O3 — CID 23987968

IUPAC5-[(3,5-dimethylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)pyrrolo[1,2-a]quinoxaline-7-carboxamide
SMILESCc1cc(C)cc(Cn2c(=O)c3cccn3c3ccc(C(=O)NCC4CCCO4)cc32)c1
InChIInChI=1S/C26H27N3O3/c1-17-11-18(2)13-19(12-17)16-29-24-14-20(25(30)27-15-21-5-4-10-32-21)7-8-22(24)28-9-3-6-23(28)26(29)31/h3,6-9,11-14,21H,4-5,10,15-16H2,1-2H3,(H,27,30)
InChIKeyJPFDBXZACGCVOB-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.83
Rot. Bonds5

About 5-[(3,5-dimethylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)pyrrolo[1,2-a]quinoxaline-7-carboxamide

5-[(3,5-dimethylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)pyrrolo[1,2-a]quinoxaline-7-carboxamide (PubChem CID 23987968) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 5-[(3,5-dimethylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)pyrrolo[1,2-a]quinoxaline-7-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)pyrrolo[1,2-a]quinoxaline-7-carboxamide
PubChem CID23987968
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name5-[(3,5-dimethylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)pyrrolo[1,2-a]quinoxaline-7-carboxamide
SMILESCc1cc(C)cc(Cn2c(=O)c3cccn3c3ccc(C(=O)NCC4CCCO4)cc32)c1
InChIInChI=1S/C26H27N3O3/c1-17-11-18(2)13-19(12-17)16-29-24-14-20(25(30)27-15-21-5-4-10-32-21)7-8-22(24)28-9-3-6-23(28)26(29)31/h3,6-9,11-14,21H,4-5,10,15-16H2,1-2H3,(H,27,30)
InChIKeyJPFDBXZACGCVOB-UHFFFAOYSA-N
XLogP3.83
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(3,5-dimethylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)pyrrolo[1,2-a]quinoxaline-7-carboxamide with MolForge

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Related Compounds

5-[(3-methylphenyl)methyl]-4-oxo-N-(thiophen-2-ylmethyl)pyrrolo[1,2-a]quinoxaline-7-carboxamide
CID 23910482
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
3-amino-5-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 113396103
N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 25343764
1-[(4-methylphenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,8-naphthyridine-3-carboxamide
CID 43995954
1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95089029
1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 53062578
3-(1-benzylimidazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 97447006
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]-2-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]isoindole-5-carboxamide
CID 41340050
1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069566

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)pyrrolo[1,2-a]quinoxaline-7-carboxamide?
The IUPAC name of 5-[(3,5-dimethylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)pyrrolo[1,2-a]quinoxaline-7-carboxamide (CID 23987968) is 5-[(3,5-dimethylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)pyrrolo[1,2-a]quinoxaline-7-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)pyrrolo[1,2-a]quinoxaline-7-carboxamide?
The canonical SMILES for 5-[(3,5-dimethylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)pyrrolo[1,2-a]quinoxaline-7-carboxamide is Cc1cc(C)cc(Cn2c(=O)c3cccn3c3ccc(C(=O)NCC4CCCO4)cc32)c1.
What is the InChIKey of 5-[(3,5-dimethylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)pyrrolo[1,2-a]quinoxaline-7-carboxamide?
The InChIKey is JPFDBXZACGCVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-17-11-18(2)13-19(12-17)16-29-24-14-20(25(30)27-15-21-5-4-10-32-21)7-8-22(24)28-9-3-6-23(28)26(29)31/h3,6-9,11-14,21H,4-5,10,15-16H2,1-2H3,(H,27,30).
What are the key properties of 5-[(3,5-dimethylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)pyrrolo[1,2-a]quinoxaline-7-carboxamide?
5-[(3,5-dimethylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)pyrrolo[1,2-a]quinoxaline-7-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)pyrrolo[1,2-a]quinoxaline-7-carboxamide is sourced from PubChem (CID 23987968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).