N-[[2-amino-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinolin-3-yl]methyl]acetamide

C24H21F2N5O4S — CID 66806999

IUPACN-[[2-amino-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinolin-3-yl]methyl]acetamide
SMILESCOc1ncc(-c2ccc3nc(N)c(CNC(C)=O)cc3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C24H21F2N5O4S/c1-13(32)28-12-17-8-15-7-14(3-5-20(15)30-23(17)27)16-9-21(24(35-2)29-11-16)31-36(33,34)22-6-4-18(25)10-19(22)26/h3-11,31H,12H2,1-2H3,(H2,27,30)(H,28,32)
InChIKeyIXKBMFLQGJKSKT-UHFFFAOYSA-N
MW513.53 g/mol
LogP3.60
Rot. Bonds7

About N-[[2-amino-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinolin-3-yl]methyl]acetamide

N-[[2-amino-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinolin-3-yl]methyl]acetamide (PubChem CID 66806999) has the molecular formula C24H21F2N5O4S and a molecular weight of 513.53 g/mol. Its IUPAC name is N-[[2-amino-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinolin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-amino-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinolin-3-yl]methyl]acetamide
PubChem CID66806999
Molecular FormulaC24H21F2N5O4S
Molecular Weight513.53 g/mol
Exact Mass513.13
IUPAC NameN-[[2-amino-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinolin-3-yl]methyl]acetamide
SMILESCOc1ncc(-c2ccc3nc(N)c(CNC(C)=O)cc3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C24H21F2N5O4S/c1-13(32)28-12-17-8-15-7-14(3-5-20(15)30-23(17)27)16-9-21(24(35-2)29-11-16)31-36(33,34)22-6-4-18(25)10-19(22)26/h3-11,31H,12H2,1-2H3,(H2,27,30)(H,28,32)
InChIKeyIXKBMFLQGJKSKT-UHFFFAOYSA-N
XLogP3.60
TPSA136.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.53
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-amino-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinolin-3-yl]methyl]acetamide?
The IUPAC name of N-[[2-amino-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinolin-3-yl]methyl]acetamide (CID 66806999) is N-[[2-amino-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinolin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-amino-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinolin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[2-amino-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinolin-3-yl]methyl]acetamide is COc1ncc(-c2ccc3nc(N)c(CNC(C)=O)cc3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[[2-amino-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinolin-3-yl]methyl]acetamide?
The InChIKey is IXKBMFLQGJKSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O4S/c1-13(32)28-12-17-8-15-7-14(3-5-20(15)30-23(17)27)16-9-21(24(35-2)29-11-16)31-36(33,34)22-6-4-18(25)10-19(22)26/h3-11,31H,12H2,1-2H3,(H2,27,30)(H,28,32).
What are the key properties of N-[[2-amino-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinolin-3-yl]methyl]acetamide?
N-[[2-amino-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinolin-3-yl]methyl]acetamide has a molecular weight of 513.53 g/mol, XLogP of 3.60, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-amino-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinolin-3-yl]methyl]acetamide is sourced from PubChem (CID 66806999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).