3-[4-[4-[1-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione

C43H46N8O3 — CID 177197695

IUPAC3-[4-[4-[1-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione
SMILESCc1c(-c2ccc3cnc(Nc4ccc(N5CCC(C6CCN(c7ccc(C8CCC(=O)NC8=O)cc7)CC6)CC5)cc4)nc3c2)cnc2c1NCCO2
InChIInChI=1S/C43H46N8O3/c1-27-37(26-45-42-40(27)44-18-23-54-42)31-2-3-32-25-46-43(48-38(32)24-31)47-33-6-10-35(11-7-33)51-21-16-29(17-22-51)28-14-19-50(20-15-28)34-8-4-30(5-9-34)36-12-13-39(52)49-41(36)53/h2-11,24-26,28-29,36,44H,12-23H2,1H3,(H,46,47,48)(H,49,52,53)
InChIKeyLQPITKOTUBXDGC-UHFFFAOYSA-N
MW722.89 g/mol
LogP7.20
Rot. Bonds7

About 3-[4-[4-[1-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione

3-[4-[4-[1-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione (PubChem CID 177197695) has the molecular formula C43H46N8O3 and a molecular weight of 722.89 g/mol. Its IUPAC name is 3-[4-[4-[1-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[4-[1-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione
PubChem CID177197695
Molecular FormulaC43H46N8O3
Molecular Weight722.89 g/mol
Exact Mass722.37
IUPAC Name3-[4-[4-[1-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione
SMILESCc1c(-c2ccc3cnc(Nc4ccc(N5CCC(C6CCN(c7ccc(C8CCC(=O)NC8=O)cc7)CC6)CC5)cc4)nc3c2)cnc2c1NCCO2
InChIInChI=1S/C43H46N8O3/c1-27-37(26-45-42-40(27)44-18-23-54-42)31-2-3-32-25-46-43(48-38(32)24-31)47-33-6-10-35(11-7-33)51-21-16-29(17-22-51)28-14-19-50(20-15-28)34-8-4-30(5-9-34)36-12-13-39(52)49-41(36)53/h2-11,24-26,28-29,36,44H,12-23H2,1H3,(H,46,47,48)(H,49,52,53)
InChIKeyLQPITKOTUBXDGC-UHFFFAOYSA-N
XLogP7.20
TPSA124.61 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.89
LogP ≤ 57.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[4-[4-[1-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[4-[4-[2-[4-[[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]methyl]piperazin-1-yl]pyrimidine-5-carbonyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 177197915
5-[4-[4-[4-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]piperidin-1-yl]phenyl]-6-methylidenepiperidin-2-one
CID 177197491
3-[4-[3-[4-[2-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]pyrazol-1-yl]acetyl]piperazin-1-yl]azetidin-1-yl]phenyl]piperidine-2,6-dione
CID 177198034
1-[4-[4-[[4-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]piperidin-1-yl]methyl]piperidin-1-yl]phenyl]-1,3-diazinane-2,4-dione
CID 177197616
3-[3-fluoro-4-[1-[[1-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]piperidin-4-yl]methyl]piperidin-4-yl]phenyl]-6-methylidenepiperidin-2-one
CID 177197735
2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]ethyl]piperazin-1-yl]isoindole-1,3-dione
CID 177197682
1-[[4-[4-[2-[4-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]phenyl]methyl]-1,3-diazinane-2,4-dione
CID 177197565
3-[1-methyl-7-[4-[[7-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]indazol-3-yl]piperidine-2,6-dione
CID 177198106
2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]methyl]piperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione
CID 177197995
tert-butyl 7-[2-[4-[1-[[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]methyl]azetidin-3-yl]anilino]quinazolin-7-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 177198262
3-[1-methyl-6-[4-[1-[2-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]acetyl]azetidin-3-yl]piperazin-1-yl]indazol-3-yl]piperidine-2,6-dione
CID 177197520
7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(4-methylphenyl)quinazolin-2-amine
CID 177197629

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[1-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[4-[1-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione (CID 177197695) is 3-[4-[4-[1-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[4-[1-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[4-[1-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione is Cc1c(-c2ccc3cnc(Nc4ccc(N5CCC(C6CCN(c7ccc(C8CCC(=O)NC8=O)cc7)CC6)CC5)cc4)nc3c2)cnc2c1NCCO2.
What is the InChIKey of 3-[4-[4-[1-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione?
The InChIKey is LQPITKOTUBXDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H46N8O3/c1-27-37(26-45-42-40(27)44-18-23-54-42)31-2-3-32-25-46-43(48-38(32)24-31)47-33-6-10-35(11-7-33)51-21-16-29(17-22-51)28-14-19-50(20-15-28)34-8-4-30(5-9-34)36-12-13-39(52)49-41(36)53/h2-11,24-26,28-29,36,44H,12-23H2,1H3,(H,46,47,48)(H,49,52,53).
What are the key properties of 3-[4-[4-[1-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione?
3-[4-[4-[1-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione has a molecular weight of 722.89 g/mol, XLogP of 7.20, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[1-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 177197695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).