8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propan-2-ylsulfonylquinoline-3-carboxamide;8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propylsulfonylquinoline-3-carboxamide

C36H32Cl4N8O6S2 — CID 66973883

IUPAC8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propan-2-ylsulfonylquinoline-3-carboxamide;8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propylsulfonylquinoline-3-carboxamide
SMILESCC(C)S(=O)(=O)c1cc(Cl)c2ncc(C(N)=O)c(Nc3cncc(Cl)c3)c2c1.CCCS(=O)(=O)c1cc(Cl)c2ncc(C(N)=O)c(Nc3cncc(Cl)c3)c2c1
InChIInChI=1S/2C18H16Cl2N4O3S/c1-9(2)28(26,27)12-4-13-16(24-11-3-10(19)6-22-7-11)14(18(21)25)8-23-17(13)15(20)5-12;1-2-3-28(26,27)12-5-13-16(24-11-4-10(19)7-22-8-11)14(18(21)25)9-23-17(13)15(20)6-12/h3-9H,1-2H3,(H2,21,25)(H,23,24);4-9H,2-3H2,1H3,(H2,21,25)(H,23,24)
InChIKeyXGVQIFSLGRGTQV-UHFFFAOYSA-N
MW878.65 g/mol
LogP7.92
Rot. Bonds11

About 8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propan-2-ylsulfonylquinoline-3-carboxamide;8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propylsulfonylquinoline-3-carboxamide

8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propan-2-ylsulfonylquinoline-3-carboxamide;8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propylsulfonylquinoline-3-carboxamide (PubChem CID 66973883) has the molecular formula C36H32Cl4N8O6S2 and a molecular weight of 878.65 g/mol. Its IUPAC name is 8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propan-2-ylsulfonylquinoline-3-carboxamide;8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propylsulfonylquinoline-3-carboxamide.

Molecular Properties

Compound Name8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propan-2-ylsulfonylquinoline-3-carboxamide;8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propylsulfonylquinoline-3-carboxamide
PubChem CID66973883
Molecular FormulaC36H32Cl4N8O6S2
Molecular Weight878.65 g/mol
Exact Mass876.06
IUPAC Name8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propan-2-ylsulfonylquinoline-3-carboxamide;8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propylsulfonylquinoline-3-carboxamide
SMILESCC(C)S(=O)(=O)c1cc(Cl)c2ncc(C(N)=O)c(Nc3cncc(Cl)c3)c2c1.CCCS(=O)(=O)c1cc(Cl)c2ncc(C(N)=O)c(Nc3cncc(Cl)c3)c2c1
InChIInChI=1S/2C18H16Cl2N4O3S/c1-9(2)28(26,27)12-4-13-16(24-11-3-10(19)6-22-7-11)14(18(21)25)8-23-17(13)15(20)5-12;1-2-3-28(26,27)12-5-13-16(24-11-4-10(19)7-22-8-11)14(18(21)25)9-23-17(13)15(20)6-12/h3-9H,1-2H3,(H2,21,25)(H,23,24);4-9H,2-3H2,1H3,(H2,21,25)(H,23,24)
InChIKeyXGVQIFSLGRGTQV-UHFFFAOYSA-N
XLogP7.92
TPSA230.08 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500878.65
LogP ≤ 57.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propan-2-ylsulfonylquinoline-3-carboxamide;8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propylsulfonylquinoline-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propan-2-ylsulfonylquinoline-3-carboxamide;8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propylsulfonylquinoline-3-carboxamide?
The IUPAC name of 8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propan-2-ylsulfonylquinoline-3-carboxamide;8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propylsulfonylquinoline-3-carboxamide (CID 66973883) is 8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propan-2-ylsulfonylquinoline-3-carboxamide;8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propylsulfonylquinoline-3-carboxamide.
What is the SMILES notation for 8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propan-2-ylsulfonylquinoline-3-carboxamide;8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propylsulfonylquinoline-3-carboxamide?
The canonical SMILES for 8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propan-2-ylsulfonylquinoline-3-carboxamide;8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propylsulfonylquinoline-3-carboxamide is CC(C)S(=O)(=O)c1cc(Cl)c2ncc(C(N)=O)c(Nc3cncc(Cl)c3)c2c1.CCCS(=O)(=O)c1cc(Cl)c2ncc(C(N)=O)c(Nc3cncc(Cl)c3)c2c1.
What is the InChIKey of 8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propan-2-ylsulfonylquinoline-3-carboxamide;8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propylsulfonylquinoline-3-carboxamide?
The InChIKey is XGVQIFSLGRGTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H16Cl2N4O3S/c1-9(2)28(26,27)12-4-13-16(24-11-3-10(19)6-22-7-11)14(18(21)25)8-23-17(13)15(20)5-12;1-2-3-28(26,27)12-5-13-16(24-11-4-10(19)7-22-8-11)14(18(21)25)9-23-17(13)15(20)6-12/h3-9H,1-2H3,(H2,21,25)(H,23,24);4-9H,2-3H2,1H3,(H2,21,25)(H,23,24).
What are the key properties of 8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propan-2-ylsulfonylquinoline-3-carboxamide;8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propylsulfonylquinoline-3-carboxamide?
8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propan-2-ylsulfonylquinoline-3-carboxamide;8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propylsulfonylquinoline-3-carboxamide has a molecular weight of 878.65 g/mol, XLogP of 7.92, 11 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propan-2-ylsulfonylquinoline-3-carboxamide;8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propylsulfonylquinoline-3-carboxamide is sourced from PubChem (CID 66973883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).