methane;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylimidazo[1,2-a]pyridine;1-methylpyridin-2-one;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methylquinoline;6-methylquinoline;6-methylquinoxaline

C76H105N13O3 — CID 157315016

IUPACmethane;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylimidazo[1,2-a]pyridine;1-methylpyridin-2-one;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methylquinoline;6-methylquinoline;6-methylquinoxaline
SMILESC.C.C.C.C.C.C.C.C.Cc1ccc2c(c1)OCCO2.Cc1ccc2ncccc2c1.Cc1ccc2nccn2c1.Cc1ccc2nccnc2c1.Cc1ccncn1.Cc1cnc2ccccc2c1.Cc1cncnc1.Cc1ncccn1.Cn1ccccc1=O
InChIInChI=1S/2C10H9N.C9H8N2.C9H10O2.C8H8N2.C6H7NO.3C5H6N2.9CH4/c1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-6-9-4-2-3-5-10(9)11-7-8;2*1-7-2-3-8-9(6-7)11-5-4-10-8;1-7-2-3-8-9-4-5-10(8)6-7;1-7-5-3-2-4-6(7)8;1-5-2-6-4-7-3-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;;;;;;;;;/h2*2-7H,1H3;2-6H,1H3;2-3,6H,4-5H2,1H3;2-6H,1H3;2-5H,1H3;3*2-4H,1H3;9*1H4
InChIKeyBDMJLAGJKFBFIV-UHFFFAOYSA-N
MW1248.76 g/mol
LogP18.90
Rot. Bonds

About methane;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylimidazo[1,2-a]pyridine;1-methylpyridin-2-one;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methylquinoline;6-methylquinoline;6-methylquinoxaline

methane;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylimidazo[1,2-a]pyridine;1-methylpyridin-2-one;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methylquinoline;6-methylquinoline;6-methylquinoxaline (PubChem CID 157315016) has the molecular formula C76H105N13O3 and a molecular weight of 1248.76 g/mol. Its IUPAC name is methane;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylimidazo[1,2-a]pyridine;1-methylpyridin-2-one;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methylquinoline;6-methylquinoline;6-methylquinoxaline.

Molecular Properties

Compound Namemethane;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylimidazo[1,2-a]pyridine;1-methylpyridin-2-one;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methylquinoline;6-methylquinoline;6-methylquinoxaline
PubChem CID157315016
Molecular FormulaC76H105N13O3
Molecular Weight1248.76 g/mol
Exact Mass1247.85
IUPAC Namemethane;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylimidazo[1,2-a]pyridine;1-methylpyridin-2-one;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methylquinoline;6-methylquinoline;6-methylquinoxaline
SMILESC.C.C.C.C.C.C.C.C.Cc1ccc2c(c1)OCCO2.Cc1ccc2ncccc2c1.Cc1ccc2nccn2c1.Cc1ccc2nccnc2c1.Cc1ccncn1.Cc1cnc2ccccc2c1.Cc1cncnc1.Cc1ncccn1.Cn1ccccc1=O
InChIInChI=1S/2C10H9N.C9H8N2.C9H10O2.C8H8N2.C6H7NO.3C5H6N2.9CH4/c1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-6-9-4-2-3-5-10(9)11-7-8;2*1-7-2-3-8-9(6-7)11-5-4-10-8;1-7-2-3-8-9-4-5-10(8)6-7;1-7-5-3-2-4-6(7)8;1-5-2-6-4-7-3-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;;;;;;;;;/h2*2-7H,1H3;2-6H,1H3;2-3,6H,4-5H2,1H3;2-6H,1H3;2-5H,1H3;3*2-4H,1H3;9*1H4
InChIKeyBDMJLAGJKFBFIV-UHFFFAOYSA-N
XLogP18.90
TPSA186.66 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001248.76
LogP ≤ 518.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze methane;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylimidazo[1,2-a]pyridine;1-methylpyridin-2-one;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methylquinoline;6-methylquinoline;6-methylquinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine
CID 46178283
US10703755, Example 440
CID 155818259
8-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinoline
CID 168291264
US11780845, Example 3
CID 155310129
N-[2-[[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindol-1-yl]pyrido[3,2-d]pyrimidin-7-yl]methylamino]ethyl]acetamide
CID 172449275
N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-(oxolan-3-yloxy)quinazolin-4-amine;N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
CID 172055260
6-[9-[[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-2-fluorophenyl]methyl]-2-methoxy-6-methylpurin-8-yl]quinoline
CID 138700921
7-(4-Tert-butylphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine;7-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-ylimidazo[1,2-a]pyridine;4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-7-(trifluoromethyl)quinoline;7-(4-phenoxyphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine;7-(4-propan-2-yloxyphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine
CID 157082291
9-(1,3-Benzodioxol-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2-methoxy-6-methyl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(4-methoxy-2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 158929037
8-(2H-benzotriazol-4-yl)-3-methyl-6-(pyridin-4-ylmethyl)quinoline;5-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide;9-[(2-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)purin-6-amine
CID 161025288
6-(4-ethoxy-3-methoxybenzyl)-7-methyl-6H-indolo[2,3-b]quinoxaline
CID 1998969
6-[3-methoxy-4-(3-methylbutoxy)benzyl]-7-methyl-6H-indolo[2,3-b]quinoxaline
CID 2008959

Frequently Asked Questions

What is the IUPAC name of methane;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylimidazo[1,2-a]pyridine;1-methylpyridin-2-one;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methylquinoline;6-methylquinoline;6-methylquinoxaline?
The IUPAC name of methane;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylimidazo[1,2-a]pyridine;1-methylpyridin-2-one;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methylquinoline;6-methylquinoline;6-methylquinoxaline (CID 157315016) is methane;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylimidazo[1,2-a]pyridine;1-methylpyridin-2-one;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methylquinoline;6-methylquinoline;6-methylquinoxaline.
What is the SMILES notation for methane;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylimidazo[1,2-a]pyridine;1-methylpyridin-2-one;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methylquinoline;6-methylquinoline;6-methylquinoxaline?
The canonical SMILES for methane;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylimidazo[1,2-a]pyridine;1-methylpyridin-2-one;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methylquinoline;6-methylquinoline;6-methylquinoxaline is C.C.C.C.C.C.C.C.C.Cc1ccc2c(c1)OCCO2.Cc1ccc2ncccc2c1.Cc1ccc2nccn2c1.Cc1ccc2nccnc2c1.Cc1ccncn1.Cc1cnc2ccccc2c1.Cc1cncnc1.Cc1ncccn1.Cn1ccccc1=O.
What is the InChIKey of methane;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylimidazo[1,2-a]pyridine;1-methylpyridin-2-one;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methylquinoline;6-methylquinoline;6-methylquinoxaline?
The InChIKey is BDMJLAGJKFBFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9N.C9H8N2.C9H10O2.C8H8N2.C6H7NO.3C5H6N2.9CH4/c1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-6-9-4-2-3-5-10(9)11-7-8;2*1-7-2-3-8-9(6-7)11-5-4-10-8;1-7-2-3-8-9-4-5-10(8)6-7;1-7-5-3-2-4-6(7)8;1-5-2-6-4-7-3-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;;;;;;;;;/h2*2-7H,1H3;2-6H,1H3;2-3,6H,4-5H2,1H3;2-6H,1H3;2-5H,1H3;3*2-4H,1H3;9*1H4.
What are the key properties of methane;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylimidazo[1,2-a]pyridine;1-methylpyridin-2-one;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methylquinoline;6-methylquinoline;6-methylquinoxaline?
methane;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylimidazo[1,2-a]pyridine;1-methylpyridin-2-one;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methylquinoline;6-methylquinoline;6-methylquinoxaline has a molecular weight of 1248.76 g/mol, XLogP of 18.90, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for methane;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylimidazo[1,2-a]pyridine;1-methylpyridin-2-one;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methylquinoline;6-methylquinoline;6-methylquinoxaline is sourced from PubChem (CID 157315016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).