2-[4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]acetamide

C22H23ClFN5O3 — CID 90941517

IUPAC2-[4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]acetamide
SMILESCOc1cc2nc(Nc3ccc(F)c(Cl)c3)ncc2cc1OC1CCN(CC(N)=O)CC1
InChIInChI=1S/C22H23ClFN5O3/c1-31-19-10-18-13(8-20(19)32-15-4-6-29(7-5-15)12-21(25)30)11-26-22(28-18)27-14-2-3-17(24)16(23)9-14/h2-3,8-11,15H,4-7,12H2,1H3,(H2,25,30)(H,26,27,28)
InChIKeyYFXQKWFFVRIVCY-UHFFFAOYSA-N
MW459.91 g/mol
LogP3.50
Rot. Bonds7

About 2-[4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]acetamide

2-[4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]acetamide (PubChem CID 90941517) has the molecular formula C22H23ClFN5O3 and a molecular weight of 459.91 g/mol. Its IUPAC name is 2-[4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]acetamide
PubChem CID90941517
Molecular FormulaC22H23ClFN5O3
Molecular Weight459.91 g/mol
Exact Mass459.15
IUPAC Name2-[4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]acetamide
SMILESCOc1cc2nc(Nc3ccc(F)c(Cl)c3)ncc2cc1OC1CCN(CC(N)=O)CC1
InChIInChI=1S/C22H23ClFN5O3/c1-31-19-10-18-13(8-20(19)32-15-4-6-29(7-5-15)12-21(25)30)11-26-22(28-18)27-14-2-3-17(24)16(23)9-14/h2-3,8-11,15H,4-7,12H2,1H3,(H2,25,30)(H,26,27,28)
InChIKeyYFXQKWFFVRIVCY-UHFFFAOYSA-N
XLogP3.50
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.91
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-(2-methoxyethyl)-N-methylpiperidine-1-carboxamide
CID 90822472
N-[4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxycyclohexyl]-N-methylmethanesulfonamide
CID 91102916
4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-methylpiperidine-1-carboxamide
CID 20819693
4-[2-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]ethyl]morpholin-3-one
CID 20819686
4-(3-chloro-4-fluoroanilino)-6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinoline-3-carboxamide
CID 44571099
1-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-4-hydroxybutan-1-one
CID 58294920
N-[2-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide
CID 91019719
[2-chloro-4-[(6,7-dimethoxyquinazolin-2-yl)amino]phenyl]-(1,3-thiazol-5-yl)methanone;hydrochloride
CID 23211979
2-[4-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxypiperidin-1-yl]acetyl bromide
CID 141076235
4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidine-1-carbonitrile;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(1-methylsulfonylpiperidin-4-yl)oxyquinazolin-4-amine
CID 87363345
[2-chloro-4-[[5-(1-methylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 91001590
1-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxycyclohexyl]-3-methylimidazolidin-2-one
CID 20819661

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]acetamide (CID 90941517) is 2-[4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]acetamide is COc1cc2nc(Nc3ccc(F)c(Cl)c3)ncc2cc1OC1CCN(CC(N)=O)CC1.
What is the InChIKey of 2-[4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]acetamide?
The InChIKey is YFXQKWFFVRIVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN5O3/c1-31-19-10-18-13(8-20(19)32-15-4-6-29(7-5-15)12-21(25)30)11-26-22(28-18)27-14-2-3-17(24)16(23)9-14/h2-3,8-11,15H,4-7,12H2,1H3,(H2,25,30)(H,26,27,28).
What are the key properties of 2-[4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]acetamide?
2-[4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]acetamide has a molecular weight of 459.91 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]acetamide is sourced from PubChem (CID 90941517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).