cyclopentyl-[4-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]piperidin-1-yl]methanone

C28H34N4O4 — CID 11306395

IUPACcyclopentyl-[4-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]piperidin-1-yl]methanone
SMILESCOc1cc2ncnc(Nc3ccc(OC4CCN(C(=O)C5CCCC5)CC4)c(C)c3)c2cc1OC
InChIInChI=1S/C28H34N4O4/c1-18-14-20(31-27-22-15-25(34-2)26(35-3)16-23(22)29-17-30-27)8-9-24(18)36-21-10-12-32(13-11-21)28(33)19-6-4-5-7-19/h8-9,14-17,19,21H,4-7,10-13H2,1-3H3,(H,29,30,31)
InChIKeyYPARAMDMUDYMTG-UHFFFAOYSA-N
MW490.60 g/mol
LogP5.26
Rot. Bonds7

About cyclopentyl-[4-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]piperidin-1-yl]methanone

cyclopentyl-[4-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]piperidin-1-yl]methanone (PubChem CID 11306395) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is cyclopentyl-[4-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]piperidin-1-yl]methanone
PubChem CID11306395
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC Namecyclopentyl-[4-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]piperidin-1-yl]methanone
SMILESCOc1cc2ncnc(Nc3ccc(OC4CCN(C(=O)C5CCCC5)CC4)c(C)c3)c2cc1OC
InChIInChI=1S/C28H34N4O4/c1-18-14-20(31-27-22-15-25(34-2)26(35-3)16-23(22)29-17-30-27)8-9-24(18)36-21-10-12-32(13-11-21)28(33)19-6-4-5-7-19/h8-9,14-17,19,21H,4-7,10-13H2,1-3H3,(H,29,30,31)
InChIKeyYPARAMDMUDYMTG-UHFFFAOYSA-N
XLogP5.26
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze cyclopentyl-[4-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]piperidin-1-yl]methanone with MolForge

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Related Compounds

4-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 91576976
cyclopentyl-[4-[2-methyl-4-[(6-morpholin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]phenoxy]piperidin-1-yl]methanone
CID 11752667
N-[4-[4-[1-(cyclobutanecarbonyl)piperidin-4-yl]oxy-3-methylanilino]pyrido[3,4-d]pyrimidin-6-yl]prop-2-enamide
CID 69053722
N-(2-chlorophenyl)-4-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]piperidine-1-carboxamide
CID 91605752
2-cyclopentyl-1-[4-[2-methyl-4-[(6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-yl)amino]phenoxy]piperidin-1-yl]ethanone
CID 11375738
[4-[2-chloro-4-[(6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-yl)amino]phenoxy]piperidin-1-yl]-cyclopentylmethanone
CID 11226183
1-[4-[4-(3,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 25128361
2-cyclopentyl-1-[4-[4-[[6-(dimethylamino)pyrido[3,4-d]pyrimidin-4-yl]amino]-2-methylphenoxy]piperidin-1-yl]ethanone
CID 11260333
N-tert-butyl-4-[4-[[6-(dimethylamino)pyrido[3,4-d]pyrimidin-4-yl]amino]-2-methylphenoxy]piperidine-1-carboxamide
CID 69056988
1-[4-[4-(3-chloro-4-hydroxyanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 25123749
1-[4-[4-(4-fluoro-3-methoxyanilino)-6-methoxyquinazolin-7-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one
CID 143016050
4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-methylpiperidine-1-carboxamide
CID 20819693

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]piperidin-1-yl]methanone (CID 11306395) is cyclopentyl-[4-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]piperidin-1-yl]methanone is COc1cc2ncnc(Nc3ccc(OC4CCN(C(=O)C5CCCC5)CC4)c(C)c3)c2cc1OC.
What is the InChIKey of cyclopentyl-[4-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]piperidin-1-yl]methanone?
The InChIKey is YPARAMDMUDYMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-18-14-20(31-27-22-15-25(34-2)26(35-3)16-23(22)29-17-30-27)8-9-24(18)36-21-10-12-32(13-11-21)28(33)19-6-4-5-7-19/h8-9,14-17,19,21H,4-7,10-13H2,1-3H3,(H,29,30,31).
What are the key properties of cyclopentyl-[4-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]piperidin-1-yl]methanone?
cyclopentyl-[4-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]piperidin-1-yl]methanone has a molecular weight of 490.60 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 11306395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).