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

C22H19F2N5O4S — CID 135197588

IUPACN-[5-(2-amino-8-methoxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCOc1ncc(-c2cc(OC)c3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C22H19F2N5O4S/c1-11-15-6-12(8-18(32-2)20(15)28-22(25)27-11)13-7-17(21(33-3)26-10-13)29-34(30,31)19-5-4-14(23)9-16(19)24/h4-10,29H,1-3H3,(H2,25,27,28)
InChIKeyLCMMFSOTAUQSFR-UHFFFAOYSA-N
MW487.49 g/mol
LogP3.68
Rot. Bonds6

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

N-[5-(2-amino-8-methoxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (PubChem CID 135197588) has the molecular formula C22H19F2N5O4S and a molecular weight of 487.49 g/mol. Its IUPAC name is N-[5-(2-amino-8-methoxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2-amino-8-methoxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
PubChem CID135197588
Molecular FormulaC22H19F2N5O4S
Molecular Weight487.49 g/mol
Exact Mass487.11
IUPAC NameN-[5-(2-amino-8-methoxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCOc1ncc(-c2cc(OC)c3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C22H19F2N5O4S/c1-11-15-6-12(8-18(32-2)20(15)28-22(25)27-11)13-7-17(21(33-3)26-10-13)29-34(30,31)19-5-4-14(23)9-16(19)24/h4-10,29H,1-3H3,(H2,25,27,28)
InChIKeyLCMMFSOTAUQSFR-UHFFFAOYSA-N
XLogP3.68
TPSA129.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.49
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-8-methoxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[5-(2-amino-8-methoxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (CID 135197588) is N-[5-(2-amino-8-methoxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[5-(2-amino-8-methoxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[5-(2-amino-8-methoxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is COc1ncc(-c2cc(OC)c3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[5-(2-amino-8-methoxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is LCMMFSOTAUQSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O4S/c1-11-15-6-12(8-18(32-2)20(15)28-22(25)27-11)13-7-17(21(33-3)26-10-13)29-34(30,31)19-5-4-14(23)9-16(19)24/h4-10,29H,1-3H3,(H2,25,27,28).
What are the key properties of N-[5-(2-amino-8-methoxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
N-[5-(2-amino-8-methoxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 487.49 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-8-methoxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 135197588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).