[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-(2-methylmorpholin-4-yl)methanone

C53H60Cl2F2N10O8 — CID 87311624

IUPAC[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-(2-methylmorpholin-4-yl)methanone
SMILESCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(=O)N2CCOC(C)C2)CC1.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1
InChIInChI=1S/C27H31ClFN5O4.C26H29ClFN5O4/c1-16-13-34(14-17(2)37-16)27(35)33-8-6-19(7-9-33)38-25-11-20-23(12-24(25)36-3)30-15-31-26(20)32-18-4-5-22(29)21(28)10-18;1-16-14-33(9-10-36-16)26(34)32-7-5-18(6-8-32)37-24-12-19-22(13-23(24)35-2)29-15-30-25(19)31-17-3-4-21(28)20(27)11-17/h4-5,10-12,15-17,19H,6-9,13-14H2,1-3H3,(H,30,31,32);3-4,11-13,15-16,18H,5-10,14H2,1-2H3,(H,29,30,31)/t16-,17+;
InChIKeyVAOIMFRUTCLPFW-OKZTUQRJSA-N
MW1074.03 g/mol
LogP10.11
Rot. Bonds10

About [4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-(2-methylmorpholin-4-yl)methanone

[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-(2-methylmorpholin-4-yl)methanone (PubChem CID 87311624) has the molecular formula C53H60Cl2F2N10O8 and a molecular weight of 1074.03 g/mol. Its IUPAC name is [4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-(2-methylmorpholin-4-yl)methanone
PubChem CID87311624
Molecular FormulaC53H60Cl2F2N10O8
Molecular Weight1074.03 g/mol
Exact Mass1072.39
IUPAC Name[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-(2-methylmorpholin-4-yl)methanone
SMILESCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(=O)N2CCOC(C)C2)CC1.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1
InChIInChI=1S/C27H31ClFN5O4.C26H29ClFN5O4/c1-16-13-34(14-17(2)37-16)27(35)33-8-6-19(7-9-33)38-25-11-20-23(12-24(25)36-3)30-15-31-26(20)32-18-4-5-22(29)21(28)10-18;1-16-14-33(9-10-36-16)26(34)32-7-5-18(6-8-32)37-24-12-19-22(13-23(24)35-2)29-15-30-25(19)31-17-3-4-21(28)20(27)11-17/h4-5,10-12,15-17,19H,6-9,13-14H2,1-3H3,(H,30,31,32);3-4,11-13,15-16,18H,5-10,14H2,1-2H3,(H,29,30,31)/t16-,17+;
InChIKeyVAOIMFRUTCLPFW-OKZTUQRJSA-N
XLogP10.11
TPSA178.10 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001074.03
LogP ≤ 510.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze [4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-(2-methylmorpholin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of [4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-(2-methylmorpholin-4-yl)methanone (CID 87311624) is [4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for [4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for [4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-(2-methylmorpholin-4-yl)methanone is COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(=O)N2CCOC(C)C2)CC1.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1.
What is the InChIKey of [4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-(2-methylmorpholin-4-yl)methanone?
The InChIKey is VAOIMFRUTCLPFW-OKZTUQRJSA-N. The full InChI is InChI=1S/C27H31ClFN5O4.C26H29ClFN5O4/c1-16-13-34(14-17(2)37-16)27(35)33-8-6-19(7-9-33)38-25-11-20-23(12-24(25)36-3)30-15-31-26(20)32-18-4-5-22(29)21(28)10-18;1-16-14-33(9-10-36-16)26(34)32-7-5-18(6-8-32)37-24-12-19-22(13-23(24)35-2)29-15-30-25(19)31-17-3-4-21(28)20(27)11-17/h4-5,10-12,15-17,19H,6-9,13-14H2,1-3H3,(H,30,31,32);3-4,11-13,15-16,18H,5-10,14H2,1-2H3,(H,29,30,31)/t16-,17+;.
What are the key properties of [4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-(2-methylmorpholin-4-yl)methanone?
[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-(2-methylmorpholin-4-yl)methanone has a molecular weight of 1074.03 g/mol, XLogP of 10.11, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 87311624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).