[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-morpholin-4-ylmethanone

C20H18ClFN4O3 — CID 122192384

IUPAC[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-morpholin-4-ylmethanone
SMILESCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1C(=O)N1CCOCC1
InChIInChI=1S/C20H18ClFN4O3/c1-28-17-10-16-12(9-13(17)20(27)26-5-7-29-8-6-26)19(24-11-23-16)25-15-4-2-3-14(21)18(15)22/h2-4,9-11H,5-8H2,1H3,(H,23,24,25)
InChIKeyVEBDWRZKAQQDHE-UHFFFAOYSA-N
MW416.84 g/mol
LogP3.65
Rot. Bonds4

About [4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-morpholin-4-ylmethanone

[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-morpholin-4-ylmethanone (PubChem CID 122192384) has the molecular formula C20H18ClFN4O3 and a molecular weight of 416.84 g/mol. Its IUPAC name is [4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-morpholin-4-ylmethanone
PubChem CID122192384
Molecular FormulaC20H18ClFN4O3
Molecular Weight416.84 g/mol
Exact Mass416.11
IUPAC Name[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-morpholin-4-ylmethanone
SMILESCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1C(=O)N1CCOCC1
InChIInChI=1S/C20H18ClFN4O3/c1-28-17-10-16-12(9-13(17)20(27)26-5-7-29-8-6-26)19(24-11-23-16)25-15-4-2-3-14(21)18(15)22/h2-4,9-11H,5-8H2,1H3,(H,23,24,25)
InChIKeyVEBDWRZKAQQDHE-UHFFFAOYSA-N
XLogP3.65
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.84
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxycyclohexyl]morpholine-4-carboxamide
CID 58294896
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
2-morpholin-4-ylethyl 4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidine-1-carboxylate
CID 11215112
[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 11386930
[4-[4-(3-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxypiperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 68908329
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-(methylaminomethyl)quinazolin-4-amine
CID 141120249
[4-(3-chloro-2-fluoroanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone;hydrochloride
CID 68867452
4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-ethylpiperidine-1-carboxamide
CID 59557981
N-(3-chloro-2-fluorophenyl)-6-(chloromethyl)-7-methoxyquinazolin-4-amine;ethane
CID 143086548
1-[2-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxymethyl]pyrrolidin-1-yl]ethanone
CID 59371214
[(3R)-3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-pyridin-4-ylmethanone
CID 11386633

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-morpholin-4-ylmethanone (CID 122192384) is [4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-morpholin-4-ylmethanone is COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1C(=O)N1CCOCC1.
What is the InChIKey of [4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-morpholin-4-ylmethanone?
The InChIKey is VEBDWRZKAQQDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O3/c1-28-17-10-16-12(9-13(17)20(27)26-5-7-29-8-6-26)19(24-11-23-16)25-15-4-2-3-14(21)18(15)22/h2-4,9-11H,5-8H2,1H3,(H,23,24,25).
What are the key properties of [4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-morpholin-4-ylmethanone?
[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-morpholin-4-ylmethanone has a molecular weight of 416.84 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 122192384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).