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

C18H16Cl2N4O3S — CID 11189860

IUPAC8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propan-2-ylsulfonylquinoline-3-carboxamide
SMILESCC(C)S(=O)(=O)c1cc(Cl)c2ncc(C(N)=O)c(Nc3cncc(Cl)c3)c2c1
InChIInChI=1S/C18H16Cl2N4O3S/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/h3-9H,1-2H3,(H2,21,25)(H,23,24)
InChIKeyKVRKHYUCASVCLW-UHFFFAOYSA-N
MW439.32 g/mol
LogP3.96
Rot. Bonds5

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

8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propan-2-ylsulfonylquinoline-3-carboxamide (PubChem CID 11189860) has the molecular formula C18H16Cl2N4O3S and a molecular weight of 439.32 g/mol. Its IUPAC name is 8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propan-2-ylsulfonylquinoline-3-carboxamide.

Molecular Properties

Compound Name8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propan-2-ylsulfonylquinoline-3-carboxamide
PubChem CID11189860
Molecular FormulaC18H16Cl2N4O3S
Molecular Weight439.32 g/mol
Exact Mass438.03
IUPAC Name8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propan-2-ylsulfonylquinoline-3-carboxamide
SMILESCC(C)S(=O)(=O)c1cc(Cl)c2ncc(C(N)=O)c(Nc3cncc(Cl)c3)c2c1
InChIInChI=1S/C18H16Cl2N4O3S/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/h3-9H,1-2H3,(H2,21,25)(H,23,24)
InChIKeyKVRKHYUCASVCLW-UHFFFAOYSA-N
XLogP3.96
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.32
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-Chloroanilino)-6-methylsulfonylquinoline-3-carboxamide
CID 11394750
4-(3-chloro-N-methylanilino)-6-methylsulfonylquinoline-3-carboxamide
CID 44564844
6-Methylsulfonyl-4-(pyridin-3-ylamino)quinoline-3-carboxamide
CID 44564773
4-(3-Chloro-2-fluoroanilino)-6-methylsulfonylquinoline-3-carboxamide
CID 44564809
6-(Benzenesulfonyl)-4-(pyridin-3-ylamino)quinoline-3-carboxamide
CID 45485431
4-(3-Chlorophenyl)sulfanyl-6-methylsulfonylquinoline-3-carboxamide
CID 44564811
6-Ethylsulfonyl-4-[(5-fluoro-3-pyridinyl)amino]-8-methylquinoline-3-carboxamide
CID 11165147
8-Chloro-4-[(5-fluoro-3-pyridinyl)amino]-6-propan-2-ylsulfonylquinoline-3-carboxamide
CID 11258755
4-[(5-Fluoro-3-pyridinyl)amino]-8-methyl-6-methylsulfonylquinoline-3-carboxamide
CID 11314814
6-Tert-butylsulfonyl-4-[(5-fluoro-3-pyridinyl)amino]-8-methylquinoline-3-carboxamide
CID 11395920
8-Chloro-4-(3-fluoroanilino)-6-methylsulfonylquinoline-3-carboxamide
CID 11440790
6-Tert-butylsulfonyl-8-chloro-4-[(5-fluoro-3-pyridinyl)amino]quinoline-3-carboxamide
CID 11487414

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propan-2-ylsulfonylquinoline-3-carboxamide?
The IUPAC name of 8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propan-2-ylsulfonylquinoline-3-carboxamide (CID 11189860) is 8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propan-2-ylsulfonylquinoline-3-carboxamide.
What is the SMILES notation for 8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propan-2-ylsulfonylquinoline-3-carboxamide?
The canonical SMILES for 8-chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propan-2-ylsulfonylquinoline-3-carboxamide is CC(C)S(=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?
The InChIKey is KVRKHYUCASVCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O3S/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/h3-9H,1-2H3,(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-propan-2-ylsulfonylquinoline-3-carboxamide has a molecular weight of 439.32 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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 is sourced from PubChem (CID 11189860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).