N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide

C21H25N3O3 — CID 92869657

IUPACN-[(2R)-1-(furan-2-yl)propan-2-yl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
SMILESCc1cc2nc(C)c(=O)n(CCC(=O)N[C@H](C)Cc3ccco3)c2cc1C
InChIInChI=1S/C21H25N3O3/c1-13-10-18-19(11-14(13)2)24(21(26)16(4)23-18)8-7-20(25)22-15(3)12-17-6-5-9-27-17/h5-6,9-11,15H,7-8,12H2,1-4H3,(H,22,25)/t15-/m1/s1
InChIKeySIDQMAMYVQHPGH-OAHLLOKOSA-N
MW367.45 g/mol
LogP3.05
Rot. Bonds6

About N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide

N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide (PubChem CID 92869657) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2R)-1-(furan-2-yl)propan-2-yl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
PubChem CID92869657
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[(2R)-1-(furan-2-yl)propan-2-yl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
SMILESCc1cc2nc(C)c(=O)n(CCC(=O)N[C@H](C)Cc3ccco3)c2cc1C
InChIInChI=1S/C21H25N3O3/c1-13-10-18-19(11-14(13)2)24(21(26)16(4)23-18)8-7-20(25)22-15(3)12-17-6-5-9-27-17/h5-6,9-11,15H,7-8,12H2,1-4H3,(H,22,25)/t15-/m1/s1
InChIKeySIDQMAMYVQHPGH-OAHLLOKOSA-N
XLogP3.05
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324586
N-[(1S)-1-thiophen-2-ylbutyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 92869655
N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-(3-methylpyrazol-1-yl)propanamide
CID 92707875
N-(2,4-dimethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324526
N-(4-phenylbutan-2-yl)-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
CID 50768186
N-[(2-chlorophenyl)methyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324487
N-[(3-fluorophenyl)methyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324640
N-[1-(furan-2-yl)propan-2-yl]-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide
CID 53024441
ethyl 4-[3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanoylamino]benzoate
CID 46324529
N-[1-(furan-2-yl)propan-2-yl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 47026554
2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide
CID 93060408
N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 95074228

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide?
The IUPAC name of N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide (CID 92869657) is N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide.
What is the SMILES notation for N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide?
The canonical SMILES for N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide is Cc1cc2nc(C)c(=O)n(CCC(=O)N[C@H](C)Cc3ccco3)c2cc1C.
What is the InChIKey of N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide?
The InChIKey is SIDQMAMYVQHPGH-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-13-10-18-19(11-14(13)2)24(21(26)16(4)23-18)8-7-20(25)22-15(3)12-17-6-5-9-27-17/h5-6,9-11,15H,7-8,12H2,1-4H3,(H,22,25)/t15-/m1/s1.
What are the key properties of N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide?
N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide has a molecular weight of 367.45 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide is sourced from PubChem (CID 92869657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).