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

C30H35N7O3 — CID 169232510

IUPAC2-[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
SMILESCc1cccc2c1NCCN2c1cc2cnc(Nc3ccc(OCCN(C)C)cc3)nc2n(C2CCOC2)c1=O
InChIInChI=1S/C30H35N7O3/c1-20-5-4-6-25-27(20)31-12-13-36(25)26-17-21-18-32-30(34-28(21)37(29(26)38)23-11-15-39-19-23)33-22-7-9-24(10-8-22)40-16-14-35(2)3/h4-10,17-18,23,31H,11-16,19H2,1-3H3,(H,32,33,34)
InChIKeyIAMBRYADNRDKAB-UHFFFAOYSA-N
MW541.66 g/mol
LogP4.31
Rot. Bonds8

About 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

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 (PubChem CID 169232510) has the molecular formula C30H35N7O3 and a molecular weight of 541.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID169232510
Molecular FormulaC30H35N7O3
Molecular Weight541.66 g/mol
Exact Mass541.28
IUPAC Name2-[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
SMILESCc1cccc2c1NCCN2c1cc2cnc(Nc3ccc(OCCN(C)C)cc3)nc2n(C2CCOC2)c1=O
InChIInChI=1S/C30H35N7O3/c1-20-5-4-6-25-27(20)31-12-13-36(25)26-17-21-18-32-30(34-28(21)37(29(26)38)23-11-15-39-19-23)33-22-7-9-24(10-8-22)40-16-14-35(2)3/h4-10,17-18,23,31H,11-16,19H2,1-3H3,(H,32,33,34)
InChIKeyIAMBRYADNRDKAB-UHFFFAOYSA-N
XLogP4.31
TPSA96.78 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.66
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
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
6-[5-(4-ethylcyclohexyl)-3-methyl-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one
CID 70934333
6-[4-(1-methylimidazol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one
CID 90210684
2-(3-chloro-4-piperazin-1-ylanilino)-6-[2-methyl-4-(1,3-oxazol-4-yl)phenyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one
CID 70934190
6-[2-(1-methylpiperidin-4-yl)phenyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one
CID 90212988
6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 70934373
2-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]amino]-6-(5-methyl-4-prop-2-enoyl-2,3-dihydroquinoxalin-1-yl)-8-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one
CID 177218496
6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-8-(oxolan-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 90210733
8-(3-hydroxycyclobutyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-4-prop-2-enoyl-2,3-dihydroquinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one
CID 169232525
8-(2-hydroxyethyl)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one
CID 175945018
2-[4-[2-(dimethylamino)ethoxy]anilino]-8-[3-(oxan-2-yloxy)propyl]pyrido[2,3-d]pyrimidin-7-one
CID 10276758

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc2c1NCCN2c1cc2cnc(Nc3ccc(OCCN(C)C)cc3)nc2n(C2CCOC2)c1=O.
What is the InChIKey of 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?
The InChIKey is IAMBRYADNRDKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N7O3/c1-20-5-4-6-25-27(20)31-12-13-36(25)26-17-21-18-32-30(34-28(21)37(29(26)38)23-11-15-39-19-23)33-22-7-9-24(10-8-22)40-16-14-35(2)3/h4-10,17-18,23,31H,11-16,19H2,1-3H3,(H,32,33,34).
What are the key properties of 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?
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 has a molecular weight of 541.66 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 169232510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).