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

C26H23ClFN5O3 — CID 11386633

IUPAC[(3R)-3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-pyridin-4-ylmethanone
SMILESCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1O[C@@H]1CCCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C26H23ClFN5O3/c1-35-22-13-21-18(25(31-15-30-21)32-20-6-2-5-19(27)24(20)28)12-23(22)36-17-4-3-11-33(14-17)26(34)16-7-9-29-10-8-16/h2,5-10,12-13,15,17H,3-4,11,14H2,1H3,(H,30,31,32)/t17-/m1/s1
InChIKeyFHSVEJNXUUQXKB-QGZVFWFLSA-N
MW507.95 g/mol
LogP5.25
Rot. Bonds6

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

[(3R)-3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 11386633) has the molecular formula C26H23ClFN5O3 and a molecular weight of 507.95 g/mol. Its IUPAC name is [(3R)-3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID11386633
Molecular FormulaC26H23ClFN5O3
Molecular Weight507.95 g/mol
Exact Mass507.15
IUPAC Name[(3R)-3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-pyridin-4-ylmethanone
SMILESCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1O[C@@H]1CCCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C26H23ClFN5O3/c1-35-22-13-21-18(25(31-15-30-21)32-20-6-2-5-19(27)24(20)28)12-23(22)36-17-4-3-11-33(14-17)26(34)16-7-9-29-10-8-16/h2,5-10,12-13,15,17H,3-4,11,14H2,1H3,(H,30,31,32)/t17-/m1/s1
InChIKeyFHSVEJNXUUQXKB-QGZVFWFLSA-N
XLogP5.25
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.95
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(3R)-3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-pyridin-4-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

2-(4-acetylpiperazin-1-yl)-1-[3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]ethanone
CID 10008213
4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidine-1-carboxylic acid
CID 69435585
1-[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]ethanone
CID 10433617
tert-butyl (3R)-3-[4-(3-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxypyrrolidine-1-carboxylate
CID 91421063
4-[3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyazetidin-1-yl]-2-methyl-4-oxobut-2-enoic acid
CID 68626185
[4-[4-(3-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxypiperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 68908329
4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-ethylpiperidine-1-carboxamide
CID 59557981
(3S)-1-[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxycyclohexyl]-N,N-dimethylpiperidine-3-carboxamide
CID 59158203
N-[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxycyclohexyl]piperazine-1-carboxamide
CID 58294878
[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 11386930
6-(4-aminocyclohexyl)oxy-N-(3-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 25017541
(2R)-1-[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxycyclohexyl]piperidine-2-carboxamide
CID 59158217

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(3R)-3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-pyridin-4-ylmethanone (CID 11386633) is [(3R)-3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(3R)-3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(3R)-3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-pyridin-4-ylmethanone is COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1O[C@@H]1CCCN(C(=O)c2ccncc2)C1.
What is the InChIKey of [(3R)-3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is FHSVEJNXUUQXKB-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H23ClFN5O3/c1-35-22-13-21-18(25(31-15-30-21)32-20-6-2-5-19(27)24(20)28)12-23(22)36-17-4-3-11-33(14-17)26(34)16-7-9-29-10-8-16/h2,5-10,12-13,15,17H,3-4,11,14H2,1H3,(H,30,31,32)/t17-/m1/s1.
What are the key properties of [(3R)-3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-pyridin-4-ylmethanone?
[(3R)-3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 507.95 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 11386633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).