3-[4-[1-[2-[4-[[4-[[7-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)quinazolin-2-yl]amino]phenyl]methyl]piperidin-1-yl]ethyl]piperidin-4-yl]phenyl]piperidine-2,6-dione

C47H54N8O2 — CID 177197452

IUPAC3-[4-[1-[2-[4-[[4-[[7-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)quinazolin-2-yl]amino]phenyl]methyl]piperidin-1-yl]ethyl]piperidin-4-yl]phenyl]piperidine-2,6-dione
SMILESCc1c(-c2ccc3cnc(Nc4ccc(CC5CCN(CCN6CCC(c7ccc(C8CCC(=O)NC8=O)cc7)CC6)CC5)cc4)nc3c2)cnc2c1NCCC2
InChIInChI=1S/C47H54N8O2/c1-31-41(30-49-42-3-2-20-48-45(31)42)37-10-11-38-29-50-47(52-43(38)28-37)51-39-12-4-32(5-13-39)27-33-16-21-54(22-17-33)25-26-55-23-18-35(19-24-55)34-6-8-36(9-7-34)40-14-15-44(56)53-46(40)57/h4-13,28-30,33,35,40,48H,2-3,14-27H2,1H3,(H,50,51,52)(H,53,56,57)
InChIKeyZDTAANYHDYZHOA-UHFFFAOYSA-N
MW763.00 g/mol
LogP7.76
Rot. Bonds10

About 3-[4-[1-[2-[4-[[4-[[7-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)quinazolin-2-yl]amino]phenyl]methyl]piperidin-1-yl]ethyl]piperidin-4-yl]phenyl]piperidine-2,6-dione

3-[4-[1-[2-[4-[[4-[[7-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)quinazolin-2-yl]amino]phenyl]methyl]piperidin-1-yl]ethyl]piperidin-4-yl]phenyl]piperidine-2,6-dione (PubChem CID 177197452) has the molecular formula C47H54N8O2 and a molecular weight of 763.00 g/mol. Its IUPAC name is 3-[4-[1-[2-[4-[[4-[[7-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)quinazolin-2-yl]amino]phenyl]methyl]piperidin-1-yl]ethyl]piperidin-4-yl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[1-[2-[4-[[4-[[7-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)quinazolin-2-yl]amino]phenyl]methyl]piperidin-1-yl]ethyl]piperidin-4-yl]phenyl]piperidine-2,6-dione
PubChem CID177197452
Molecular FormulaC47H54N8O2
Molecular Weight763.00 g/mol
Exact Mass762.44
IUPAC Name3-[4-[1-[2-[4-[[4-[[7-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)quinazolin-2-yl]amino]phenyl]methyl]piperidin-1-yl]ethyl]piperidin-4-yl]phenyl]piperidine-2,6-dione
SMILESCc1c(-c2ccc3cnc(Nc4ccc(CC5CCN(CCN6CCC(c7ccc(C8CCC(=O)NC8=O)cc7)CC6)CC5)cc4)nc3c2)cnc2c1NCCC2
InChIInChI=1S/C47H54N8O2/c1-31-41(30-49-42-3-2-20-48-45(31)42)37-10-11-38-29-50-47(52-43(38)28-37)51-39-12-4-32(5-13-39)27-33-16-21-54(22-17-33)25-26-55-23-18-35(19-24-55)34-6-8-36(9-7-34)40-14-15-44(56)53-46(40)57/h4-13,28-30,33,35,40,48H,2-3,14-27H2,1H3,(H,50,51,52)(H,53,56,57)
InChIKeyZDTAANYHDYZHOA-UHFFFAOYSA-N
XLogP7.76
TPSA115.38 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.00
LogP ≤ 57.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[4-[1-[2-[4-[[4-[[7-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)quinazolin-2-yl]amino]phenyl]methyl]piperidin-1-yl]ethyl]piperidin-4-yl]phenyl]piperidine-2,6-dione with MolForge

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Related Compounds

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
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
3-[4-[1-[2-[4-[4-[[7-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]quinazolin-2-yl]amino]phenyl]-4H-pyridin-1-yl]ethyl]piperidin-4-yl]phenyl]piperidine-2,6-dione
CID 177197568
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-[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
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
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
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-6-[1-[[1-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]amino]phenyl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-3-yl]piperidine-2,6-dione
CID 177198224
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
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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-[2-[4-[[4-[[7-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)quinazolin-2-yl]amino]phenyl]methyl]piperidin-1-yl]ethyl]piperidin-4-yl]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[1-[2-[4-[[4-[[7-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)quinazolin-2-yl]amino]phenyl]methyl]piperidin-1-yl]ethyl]piperidin-4-yl]phenyl]piperidine-2,6-dione (CID 177197452) is 3-[4-[1-[2-[4-[[4-[[7-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)quinazolin-2-yl]amino]phenyl]methyl]piperidin-1-yl]ethyl]piperidin-4-yl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[1-[2-[4-[[4-[[7-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)quinazolin-2-yl]amino]phenyl]methyl]piperidin-1-yl]ethyl]piperidin-4-yl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[1-[2-[4-[[4-[[7-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)quinazolin-2-yl]amino]phenyl]methyl]piperidin-1-yl]ethyl]piperidin-4-yl]phenyl]piperidine-2,6-dione is Cc1c(-c2ccc3cnc(Nc4ccc(CC5CCN(CCN6CCC(c7ccc(C8CCC(=O)NC8=O)cc7)CC6)CC5)cc4)nc3c2)cnc2c1NCCC2.
What is the InChIKey of 3-[4-[1-[2-[4-[[4-[[7-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)quinazolin-2-yl]amino]phenyl]methyl]piperidin-1-yl]ethyl]piperidin-4-yl]phenyl]piperidine-2,6-dione?
The InChIKey is ZDTAANYHDYZHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H54N8O2/c1-31-41(30-49-42-3-2-20-48-45(31)42)37-10-11-38-29-50-47(52-43(38)28-37)51-39-12-4-32(5-13-39)27-33-16-21-54(22-17-33)25-26-55-23-18-35(19-24-55)34-6-8-36(9-7-34)40-14-15-44(56)53-46(40)57/h4-13,28-30,33,35,40,48H,2-3,14-27H2,1H3,(H,50,51,52)(H,53,56,57).
What are the key properties of 3-[4-[1-[2-[4-[[4-[[7-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)quinazolin-2-yl]amino]phenyl]methyl]piperidin-1-yl]ethyl]piperidin-4-yl]phenyl]piperidine-2,6-dione?
3-[4-[1-[2-[4-[[4-[[7-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)quinazolin-2-yl]amino]phenyl]methyl]piperidin-1-yl]ethyl]piperidin-4-yl]phenyl]piperidine-2,6-dione has a molecular weight of 763.00 g/mol, XLogP of 7.76, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-[2-[4-[[4-[[7-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)quinazolin-2-yl]amino]phenyl]methyl]piperidin-1-yl]ethyl]piperidin-4-yl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 177197452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).