1-[4-(cyclopropanecarbonyl)-2-methyl-6-(2-methylcyclohepta-1,4,6-trien-1-yl)-2,3-dihydroquinoxalin-1-yl]ethanone

C23H26N2O2 — CID 146340690

IUPAC1-[4-(cyclopropanecarbonyl)-2-methyl-6-(2-methylcyclohepta-1,4,6-trien-1-yl)-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(C3=C(C)CC=CC=C3)cc2N(C(=O)C2CC2)CC1C
InChIInChI=1S/C23H26N2O2/c1-15-7-5-4-6-8-20(15)19-11-12-21-22(13-19)24(23(27)18-9-10-18)14-16(2)25(21)17(3)26/h4-6,8,11-13,16,18H,7,9-10,14H2,1-3H3
InChIKeyUVKPXESBSMCWJX-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.47
Rot. Bonds2

About 1-[4-(cyclopropanecarbonyl)-2-methyl-6-(2-methylcyclohepta-1,4,6-trien-1-yl)-2,3-dihydroquinoxalin-1-yl]ethanone

1-[4-(cyclopropanecarbonyl)-2-methyl-6-(2-methylcyclohepta-1,4,6-trien-1-yl)-2,3-dihydroquinoxalin-1-yl]ethanone (PubChem CID 146340690) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-[4-(cyclopropanecarbonyl)-2-methyl-6-(2-methylcyclohepta-1,4,6-trien-1-yl)-2,3-dihydroquinoxalin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(cyclopropanecarbonyl)-2-methyl-6-(2-methylcyclohepta-1,4,6-trien-1-yl)-2,3-dihydroquinoxalin-1-yl]ethanone
PubChem CID146340690
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name1-[4-(cyclopropanecarbonyl)-2-methyl-6-(2-methylcyclohepta-1,4,6-trien-1-yl)-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(C3=C(C)CC=CC=C3)cc2N(C(=O)C2CC2)CC1C
InChIInChI=1S/C23H26N2O2/c1-15-7-5-4-6-8-20(15)19-11-12-21-22(13-19)24(23(27)18-9-10-18)14-16(2)25(21)17(3)26/h4-6,8,11-13,16,18H,7,9-10,14H2,1-3H3
InChIKeyUVKPXESBSMCWJX-UHFFFAOYSA-N
XLogP4.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(cyclopropanecarbonyl)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079864
1-[(2S)-4-(cyclopentanecarbonyl)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118080045
1-[4-(cyclobutanecarbonyl)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 123759905
1-[(2S)-4-(cyclopropanecarbonyl)-6-[4-(2,2-dimethylpropylsulfonyl)phenyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 147478718
N-[4-[(2S)-1-acetyl-4-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]phenyl]ethanesulfonamide
CID 118079571
cyclopropylmethyl (3S)-7-(2-aminocyclohepta-1,4,6-trien-1-yl)-4-(cyclopropanecarbonyl)-3-methyl-2,3-dihydroquinoxaline-1-carboxylate
CID 139393744
1-[(2S)-4-(cyclobutanecarbonyl)-2-methyl-6-(4-propan-2-ylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118080315
N-[4-[(2S)-1-acetyl-4-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]-2-fluorophenyl]methanesulfonamide
CID 118079179
1-[4-(cyclobutanecarbonyl)-6-(4-ethylsulfonylphenyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 123432990
1-[4-(cyclopropanecarbonyl)-2-methyl-6-[4-methyl-3-(3-methylsulfonylbut-3-enyl)phenyl]-2,3-dihydroquinoxalin-1-yl]ethanone
CID 123893377
N-[5-[(2S)-1-acetyl-4-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]-2-methoxyphenyl]methanesulfonamide
CID 118079729
1-[4-(cyclopropanecarbonyl)-6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079567

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropanecarbonyl)-2-methyl-6-(2-methylcyclohepta-1,4,6-trien-1-yl)-2,3-dihydroquinoxalin-1-yl]ethanone?
The IUPAC name of 1-[4-(cyclopropanecarbonyl)-2-methyl-6-(2-methylcyclohepta-1,4,6-trien-1-yl)-2,3-dihydroquinoxalin-1-yl]ethanone (CID 146340690) is 1-[4-(cyclopropanecarbonyl)-2-methyl-6-(2-methylcyclohepta-1,4,6-trien-1-yl)-2,3-dihydroquinoxalin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(cyclopropanecarbonyl)-2-methyl-6-(2-methylcyclohepta-1,4,6-trien-1-yl)-2,3-dihydroquinoxalin-1-yl]ethanone?
The canonical SMILES for 1-[4-(cyclopropanecarbonyl)-2-methyl-6-(2-methylcyclohepta-1,4,6-trien-1-yl)-2,3-dihydroquinoxalin-1-yl]ethanone is CC(=O)N1c2ccc(C3=C(C)CC=CC=C3)cc2N(C(=O)C2CC2)CC1C.
What is the InChIKey of 1-[4-(cyclopropanecarbonyl)-2-methyl-6-(2-methylcyclohepta-1,4,6-trien-1-yl)-2,3-dihydroquinoxalin-1-yl]ethanone?
The InChIKey is UVKPXESBSMCWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-15-7-5-4-6-8-20(15)19-11-12-21-22(13-19)24(23(27)18-9-10-18)14-16(2)25(21)17(3)26/h4-6,8,11-13,16,18H,7,9-10,14H2,1-3H3.
What are the key properties of 1-[4-(cyclopropanecarbonyl)-2-methyl-6-(2-methylcyclohepta-1,4,6-trien-1-yl)-2,3-dihydroquinoxalin-1-yl]ethanone?
1-[4-(cyclopropanecarbonyl)-2-methyl-6-(2-methylcyclohepta-1,4,6-trien-1-yl)-2,3-dihydroquinoxalin-1-yl]ethanone has a molecular weight of 362.47 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropanecarbonyl)-2-methyl-6-(2-methylcyclohepta-1,4,6-trien-1-yl)-2,3-dihydroquinoxalin-1-yl]ethanone is sourced from PubChem (CID 146340690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).