N-[5-(8-cyclopentyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide

C26H24F2N4O4S — CID 135197627

IUPACN-[5-(8-cyclopentyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCOc1ncc(-c2cc(OC3CCCC3)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C26H24F2N4O4S/c1-15-20-9-16(11-23(25(20)31-14-30-15)36-19-5-3-4-6-19)17-10-22(26(35-2)29-13-17)32-37(33,34)24-8-7-18(27)12-21(24)28/h7-14,19,32H,3-6H2,1-2H3
InChIKeyDFNYCHSSWGMVBA-UHFFFAOYSA-N
MW526.57 g/mol
LogP5.41
Rot. Bonds7

About N-[5-(8-cyclopentyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide

N-[5-(8-cyclopentyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (PubChem CID 135197627) has the molecular formula C26H24F2N4O4S and a molecular weight of 526.57 g/mol. Its IUPAC name is N-[5-(8-cyclopentyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(8-cyclopentyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
PubChem CID135197627
Molecular FormulaC26H24F2N4O4S
Molecular Weight526.57 g/mol
Exact Mass526.15
IUPAC NameN-[5-(8-cyclopentyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCOc1ncc(-c2cc(OC3CCCC3)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C26H24F2N4O4S/c1-15-20-9-16(11-23(25(20)31-14-30-15)36-19-5-3-4-6-19)17-10-22(26(35-2)29-13-17)32-37(33,34)24-8-7-18(27)12-21(24)28/h7-14,19,32H,3-6H2,1-2H3
InChIKeyDFNYCHSSWGMVBA-UHFFFAOYSA-N
XLogP5.41
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.57
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(8-cyclopentyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[5-(8-cyclopentyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (CID 135197627) is N-[5-(8-cyclopentyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[5-(8-cyclopentyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[5-(8-cyclopentyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is COc1ncc(-c2cc(OC3CCCC3)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[5-(8-cyclopentyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is DFNYCHSSWGMVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O4S/c1-15-20-9-16(11-23(25(20)31-14-30-15)36-19-5-3-4-6-19)17-10-22(26(35-2)29-13-17)32-37(33,34)24-8-7-18(27)12-21(24)28/h7-14,19,32H,3-6H2,1-2H3.
What are the key properties of N-[5-(8-cyclopentyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
N-[5-(8-cyclopentyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 526.57 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(8-cyclopentyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 135197627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).