(2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)-phenylmethanone

C17H18N2O — CID 10515904

IUPAC(2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)-phenylmethanone
SMILESCC1CN(C)c2ccccc2N1C(=O)c1ccccc1
InChIInChI=1S/C17H18N2O/c1-13-12-18(2)15-10-6-7-11-16(15)19(13)17(20)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3
InChIKeyNGABWUHGFQLECB-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.17
Rot. Bonds1

About (2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)-phenylmethanone

(2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)-phenylmethanone (PubChem CID 10515904) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)-phenylmethanone
PubChem CID10515904
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)-phenylmethanone
SMILESCC1CN(C)c2ccccc2N1C(=O)c1ccccc1
InChIInChI=1S/C17H18N2O/c1-13-12-18(2)15-10-6-7-11-16(15)19(13)17(20)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3
InChIKeyNGABWUHGFQLECB-UHFFFAOYSA-N
XLogP3.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone
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CID 5086369
(5S,7S)-8-benzoyl-4,4-dichloro-7-methyl-5-phenyl-2,8-diazatricyclo[7.4.0.02,5]trideca-1(13),9,11-trien-3-one
CID 9497785
1-benzoyl-3-methyl-5-propan-2-yl-2,3-dihydro-1,5-benzodiazepin-4-one
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N-[(2S,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-hydroxyphenyl)acetamide
CID 69427096
[4-(methylamino)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62173307
(4-tert-butylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 42065881
[(3S)-4-(2,6-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,6-difluorophenyl)methanone
CID 95785410
[(2S,4S,5R)-4-hydroxy-2,5-dimethylpiperidin-1-yl]-phenylmethanone
CID 7329928
8-benzoyl-4-chloro-7-methyl-5-(4-methylphenyl)-2,8-diazatricyclo[7.4.0.02,5]trideca-1(13),9,11-trien-3-one
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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)-phenylmethanone?
The IUPAC name of (2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)-phenylmethanone (CID 10515904) is (2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)-phenylmethanone.
What is the SMILES notation for (2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)-phenylmethanone?
The canonical SMILES for (2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)-phenylmethanone is CC1CN(C)c2ccccc2N1C(=O)c1ccccc1.
What is the InChIKey of (2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)-phenylmethanone?
The InChIKey is NGABWUHGFQLECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13-12-18(2)15-10-6-7-11-16(15)19(13)17(20)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3.
What are the key properties of (2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)-phenylmethanone?
(2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)-phenylmethanone has a molecular weight of 266.34 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)-phenylmethanone is sourced from PubChem (CID 10515904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).