N-[3-[2-(6-amino-3-pyridinyl)-8-methoxy-4-morpholin-4-ylquinazolin-6-yl]-2-fluorophenyl]thiophene-2-sulfonamide

C28H25FN6O4S2 — CID 86272233

IUPACN-[3-[2-(6-amino-3-pyridinyl)-8-methoxy-4-morpholin-4-ylquinazolin-6-yl]-2-fluorophenyl]thiophene-2-sulfonamide
SMILESCOc1cc(-c2cccc(NS(=O)(=O)c3cccs3)c2F)cc2c(N3CCOCC3)nc(-c3ccc(N)nc3)nc12
InChIInChI=1S/C28H25FN6O4S2/c1-38-22-15-18(19-4-2-5-21(25(19)29)34-41(36,37)24-6-3-13-40-24)14-20-26(22)32-27(17-7-8-23(30)31-16-17)33-28(20)35-9-11-39-12-10-35/h2-8,13-16,34H,9-12H2,1H3,(H2,30,31)
InChIKeyWRPOFWXOHPGVMB-UHFFFAOYSA-N
MW592.68 g/mol
LogP4.79
Rot. Bonds7

About N-[3-[2-(6-amino-3-pyridinyl)-8-methoxy-4-morpholin-4-ylquinazolin-6-yl]-2-fluorophenyl]thiophene-2-sulfonamide

N-[3-[2-(6-amino-3-pyridinyl)-8-methoxy-4-morpholin-4-ylquinazolin-6-yl]-2-fluorophenyl]thiophene-2-sulfonamide (PubChem CID 86272233) has the molecular formula C28H25FN6O4S2 and a molecular weight of 592.68 g/mol. Its IUPAC name is N-[3-[2-(6-amino-3-pyridinyl)-8-methoxy-4-morpholin-4-ylquinazolin-6-yl]-2-fluorophenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-(6-amino-3-pyridinyl)-8-methoxy-4-morpholin-4-ylquinazolin-6-yl]-2-fluorophenyl]thiophene-2-sulfonamide
PubChem CID86272233
Molecular FormulaC28H25FN6O4S2
Molecular Weight592.68 g/mol
Exact Mass592.14
IUPAC NameN-[3-[2-(6-amino-3-pyridinyl)-8-methoxy-4-morpholin-4-ylquinazolin-6-yl]-2-fluorophenyl]thiophene-2-sulfonamide
SMILESCOc1cc(-c2cccc(NS(=O)(=O)c3cccs3)c2F)cc2c(N3CCOCC3)nc(-c3ccc(N)nc3)nc12
InChIInChI=1S/C28H25FN6O4S2/c1-38-22-15-18(19-4-2-5-21(25(19)29)34-41(36,37)24-6-3-13-40-24)14-20-26(22)32-27(17-7-8-23(30)31-16-17)33-28(20)35-9-11-39-12-10-35/h2-8,13-16,34H,9-12H2,1H3,(H2,30,31)
InChIKeyWRPOFWXOHPGVMB-UHFFFAOYSA-N
XLogP4.79
TPSA132.56 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.68
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(6-amino-3-pyridinyl)-8-methoxy-4-morpholin-4-ylquinazolin-6-yl]-2-fluorophenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-[2-(6-amino-3-pyridinyl)-8-methoxy-4-morpholin-4-ylquinazolin-6-yl]-2-fluorophenyl]thiophene-2-sulfonamide (CID 86272233) is N-[3-[2-(6-amino-3-pyridinyl)-8-methoxy-4-morpholin-4-ylquinazolin-6-yl]-2-fluorophenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[2-(6-amino-3-pyridinyl)-8-methoxy-4-morpholin-4-ylquinazolin-6-yl]-2-fluorophenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-[2-(6-amino-3-pyridinyl)-8-methoxy-4-morpholin-4-ylquinazolin-6-yl]-2-fluorophenyl]thiophene-2-sulfonamide is COc1cc(-c2cccc(NS(=O)(=O)c3cccs3)c2F)cc2c(N3CCOCC3)nc(-c3ccc(N)nc3)nc12.
What is the InChIKey of N-[3-[2-(6-amino-3-pyridinyl)-8-methoxy-4-morpholin-4-ylquinazolin-6-yl]-2-fluorophenyl]thiophene-2-sulfonamide?
The InChIKey is WRPOFWXOHPGVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN6O4S2/c1-38-22-15-18(19-4-2-5-21(25(19)29)34-41(36,37)24-6-3-13-40-24)14-20-26(22)32-27(17-7-8-23(30)31-16-17)33-28(20)35-9-11-39-12-10-35/h2-8,13-16,34H,9-12H2,1H3,(H2,30,31).
What are the key properties of N-[3-[2-(6-amino-3-pyridinyl)-8-methoxy-4-morpholin-4-ylquinazolin-6-yl]-2-fluorophenyl]thiophene-2-sulfonamide?
N-[3-[2-(6-amino-3-pyridinyl)-8-methoxy-4-morpholin-4-ylquinazolin-6-yl]-2-fluorophenyl]thiophene-2-sulfonamide has a molecular weight of 592.68 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(6-amino-3-pyridinyl)-8-methoxy-4-morpholin-4-ylquinazolin-6-yl]-2-fluorophenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 86272233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).