6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline

C23H19ClFN3O3S — CID 157137733

IUPAC6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline
SMILESCCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(F)nc12
InChIInChI=1S/C23H19ClFN3O3S/c1-3-14-10-15(11-16-12-26-23(25)28-21(14)16)18-9-8-17(27-22(18)31-2)13-32(29,30)20-7-5-4-6-19(20)24/h4-12H,3,13H2,1-2H3
InChIKeyFRLBQEVERVVAJN-UHFFFAOYSA-N
MW471.94 g/mol
LogP5.03
Rot. Bonds6

About 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline

6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline (PubChem CID 157137733) has the molecular formula C23H19ClFN3O3S and a molecular weight of 471.94 g/mol. Its IUPAC name is 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline.

Molecular Properties

Compound Name6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline
PubChem CID157137733
Molecular FormulaC23H19ClFN3O3S
Molecular Weight471.94 g/mol
Exact Mass471.08
IUPAC Name6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline
SMILESCCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(F)nc12
InChIInChI=1S/C23H19ClFN3O3S/c1-3-14-10-15(11-16-12-26-23(25)28-21(14)16)18-9-8-17(27-22(18)31-2)13-32(29,30)20-7-5-4-6-19(20)24/h4-12H,3,13H2,1-2H3
InChIKeyFRLBQEVERVVAJN-UHFFFAOYSA-N
XLogP5.03
TPSA82.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.94
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline with MolForge

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Related Compounds

N-[5-(2-amino-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 76328473
N-[5-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-2-methoxy-3-pyridinyl]ethanesulfonamide
CID 145976442
US11840523, Lbc-00004 07
CID 163302460
US11840523, Lbc-00004 06
CID 163302461
N-[5-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-2-methoxy-3-pyridinyl]butane-1-sulfonamide
CID 145963908
US11840523, Lbc-00004 05
CID 137351762
US20250340530, Comparative Example 1
CID 156833099
US11912668, Example 33
CID 156833297
US11912668, Example 36
CID 163368989
US11912668, Example 37
CID 163369099
US11912668, Example 79
CID 164934596
US11912668, Example 76
CID 164934672

Frequently Asked Questions

What is the IUPAC name of 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline?
The IUPAC name of 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline (CID 157137733) is 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline.
What is the SMILES notation for 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline?
The canonical SMILES for 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline is CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(F)nc12.
What is the InChIKey of 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline?
The InChIKey is FRLBQEVERVVAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O3S/c1-3-14-10-15(11-16-12-26-23(25)28-21(14)16)18-9-8-17(27-22(18)31-2)13-32(29,30)20-7-5-4-6-19(20)24/h4-12H,3,13H2,1-2H3.
What are the key properties of 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline?
6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline has a molecular weight of 471.94 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline is sourced from PubChem (CID 157137733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).