ethane;8-[2-[ethyl(methyl)amino]ethyl]-2-(3-methoxyanilino)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one

C30H39N7O2 — CID 177005281

IUPACethane;8-[2-[ethyl(methyl)amino]ethyl]-2-(3-methoxyanilino)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCC.CCN(C)CCn1c(=O)c(N2CCNc3c(C)cccc32)cc2cnc(Nc3cccc(OC)c3)nc21
InChIInChI=1S/C28H33N7O2.C2H6/c1-5-33(3)14-15-35-26-20(18-30-28(32-26)31-21-9-7-10-22(17-21)37-4)16-24(27(35)36)34-13-12-29-25-19(2)8-6-11-23(25)34;1-2/h6-11,16-18,29H,5,12-15H2,1-4H3,(H,30,31,32);1-2H3
InChIKeyVKSIJGXSHULRMQ-UHFFFAOYSA-N
MW529.69 g/mol
LogP5.39
Rot. Bonds8

About ethane;8-[2-[ethyl(methyl)amino]ethyl]-2-(3-methoxyanilino)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one

ethane;8-[2-[ethyl(methyl)amino]ethyl]-2-(3-methoxyanilino)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 177005281) has the molecular formula C30H39N7O2 and a molecular weight of 529.69 g/mol. Its IUPAC name is ethane;8-[2-[ethyl(methyl)amino]ethyl]-2-(3-methoxyanilino)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Nameethane;8-[2-[ethyl(methyl)amino]ethyl]-2-(3-methoxyanilino)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID177005281
Molecular FormulaC30H39N7O2
Molecular Weight529.69 g/mol
Exact Mass529.32
IUPAC Nameethane;8-[2-[ethyl(methyl)amino]ethyl]-2-(3-methoxyanilino)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCC.CCN(C)CCn1c(=O)c(N2CCNc3c(C)cccc32)cc2cnc(Nc3cccc(OC)c3)nc21
InChIInChI=1S/C28H33N7O2.C2H6/c1-5-33(3)14-15-35-26-20(18-30-28(32-26)31-21-9-7-10-22(17-21)37-4)16-24(27(35)36)34-13-12-29-25-19(2)8-6-11-23(25)34;1-2/h6-11,16-18,29H,5,12-15H2,1-4H3,(H,30,31,32);1-2H3
InChIKeyVKSIJGXSHULRMQ-UHFFFAOYSA-N
XLogP5.39
TPSA87.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.69
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethane;8-[2-[ethyl(methyl)amino]ethyl]-2-(3-methoxyanilino)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

2-[4-[2-(dimethylamino)ethoxy]anilino]-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one
CID 169232510
8-(2-hydroxyethyl)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one
CID 175945018
2-(cyclopropylamino)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one
CID 169232783
2-(3-methoxyanilino)-6,8-dimethylpteridin-7-one
CID 3233678
2-ethyl-1-(3-methoxyphenyl)-6-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrazolo[3,4-d]pyrimidin-3-one
CID 59555941
8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-4-propanoyl-2,3-dihydroquinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one
CID 169232761
8-(3-chlorophenyl)-2-deuterio-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one
CID 176820017
2-(3-methoxyanilino)-8-methyl-6-phenylpteridin-7-one
CID 3233469
6-(2,6-dichlorophenyl)-2-[4-[2-[ethyl(methyl)amino]ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 167312582
8-(3-aminopropoxy)-6-(2,6-dichlorophenyl)-2-(3-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one
CID 24937334
2-(3-methoxyanilino)-8-(2-methoxyethyl)-6-(2-phenylethyl)pteridin-7-one
CID 3234696
6-(5-methoxy-4-prop-2-enoyl-2,3-dihydroquinoxalin-1-yl)-8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 169232733

Frequently Asked Questions

What is the IUPAC name of ethane;8-[2-[ethyl(methyl)amino]ethyl]-2-(3-methoxyanilino)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of ethane;8-[2-[ethyl(methyl)amino]ethyl]-2-(3-methoxyanilino)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one (CID 177005281) is ethane;8-[2-[ethyl(methyl)amino]ethyl]-2-(3-methoxyanilino)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for ethane;8-[2-[ethyl(methyl)amino]ethyl]-2-(3-methoxyanilino)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for ethane;8-[2-[ethyl(methyl)amino]ethyl]-2-(3-methoxyanilino)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one is CC.CCN(C)CCn1c(=O)c(N2CCNc3c(C)cccc32)cc2cnc(Nc3cccc(OC)c3)nc21.
What is the InChIKey of ethane;8-[2-[ethyl(methyl)amino]ethyl]-2-(3-methoxyanilino)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is VKSIJGXSHULRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O2.C2H6/c1-5-33(3)14-15-35-26-20(18-30-28(32-26)31-21-9-7-10-22(17-21)37-4)16-24(27(35)36)34-13-12-29-25-19(2)8-6-11-23(25)34;1-2/h6-11,16-18,29H,5,12-15H2,1-4H3,(H,30,31,32);1-2H3.
What are the key properties of ethane;8-[2-[ethyl(methyl)amino]ethyl]-2-(3-methoxyanilino)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one?
ethane;8-[2-[ethyl(methyl)amino]ethyl]-2-(3-methoxyanilino)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 529.69 g/mol, XLogP of 5.39, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-[2-[ethyl(methyl)amino]ethyl]-2-(3-methoxyanilino)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 177005281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).