[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone

C21H17FN4O2S — CID 59262664

IUPAC[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc2c(ccc3cnc(Nc4cccc(F)c4)nc32)s1)N1CCOCC1
InChIInChI=1S/C21H17FN4O2S/c22-14-2-1-3-15(10-14)24-21-23-12-13-4-5-17-16(19(13)25-21)11-18(29-17)20(27)26-6-8-28-9-7-26/h1-5,10-12H,6-9H2,(H,23,24,25)
InChIKeyHHFIVJCCNLKLNC-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.20
Rot. Bonds3

About [2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone

[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone (PubChem CID 59262664) has the molecular formula C21H17FN4O2S and a molecular weight of 408.46 g/mol. Its IUPAC name is [2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone
PubChem CID59262664
Molecular FormulaC21H17FN4O2S
Molecular Weight408.46 g/mol
Exact Mass408.11
IUPAC Name[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc2c(ccc3cnc(Nc4cccc(F)c4)nc32)s1)N1CCOCC1
InChIInChI=1S/C21H17FN4O2S/c22-14-2-1-3-15(10-14)24-21-23-12-13-4-5-17-16(19(13)25-21)11-18(29-17)20(27)26-6-8-28-9-7-26/h1-5,10-12H,6-9H2,(H,23,24,25)
InChIKeyHHFIVJCCNLKLNC-UHFFFAOYSA-N
XLogP4.20
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone (CID 59262664) is [2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone is O=C(c1cc2c(ccc3cnc(Nc4cccc(F)c4)nc32)s1)N1CCOCC1.
What is the InChIKey of [2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone?
The InChIKey is HHFIVJCCNLKLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2S/c22-14-2-1-3-15(10-14)24-21-23-12-13-4-5-17-16(19(13)25-21)11-18(29-17)20(27)26-6-8-28-9-7-26/h1-5,10-12H,6-9H2,(H,23,24,25).
What are the key properties of [2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone?
[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone has a molecular weight of 408.46 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 59262664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).