8-chloro-4-[(1-methylindazol-6-yl)amino]-6-methylsulfonylquinoline-3-carboxamide

C19H16ClN5O3S — CID 11270352

IUPAC8-chloro-4-[(1-methylindazol-6-yl)amino]-6-methylsulfonylquinoline-3-carboxamide
SMILESCn1ncc2ccc(Nc3c(C(N)=O)cnc4c(Cl)cc(S(C)(=O)=O)cc34)cc21
InChIInChI=1S/C19H16ClN5O3S/c1-25-16-5-11(4-3-10(16)8-23-25)24-17-13-6-12(29(2,27)28)7-15(20)18(13)22-9-14(17)19(21)26/h3-9H,1-2H3,(H2,21,26)(H,22,24)
InChIKeyRLDRCWMAJXSAQY-UHFFFAOYSA-N
MW429.89 g/mol
LogP3.02
Rot. Bonds4

About 8-chloro-4-[(1-methylindazol-6-yl)amino]-6-methylsulfonylquinoline-3-carboxamide

8-chloro-4-[(1-methylindazol-6-yl)amino]-6-methylsulfonylquinoline-3-carboxamide (PubChem CID 11270352) has the molecular formula C19H16ClN5O3S and a molecular weight of 429.89 g/mol. Its IUPAC name is 8-chloro-4-[(1-methylindazol-6-yl)amino]-6-methylsulfonylquinoline-3-carboxamide.

Molecular Properties

Compound Name8-chloro-4-[(1-methylindazol-6-yl)amino]-6-methylsulfonylquinoline-3-carboxamide
PubChem CID11270352
Molecular FormulaC19H16ClN5O3S
Molecular Weight429.89 g/mol
Exact Mass429.07
IUPAC Name8-chloro-4-[(1-methylindazol-6-yl)amino]-6-methylsulfonylquinoline-3-carboxamide
SMILESCn1ncc2ccc(Nc3c(C(N)=O)cnc4c(Cl)cc(S(C)(=O)=O)cc34)cc21
InChIInChI=1S/C19H16ClN5O3S/c1-25-16-5-11(4-3-10(16)8-23-25)24-17-13-6-12(29(2,27)28)7-15(20)18(13)22-9-14(17)19(21)26/h3-9H,1-2H3,(H2,21,26)(H,22,24)
InChIKeyRLDRCWMAJXSAQY-UHFFFAOYSA-N
XLogP3.02
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.89
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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
8-Chloro-4-[(5-fluoro-3-pyridinyl)amino]-6-propan-2-ylsulfonylquinoline-3-carboxamide
CID 11258755
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
5-chloro-2-fluoro-4-[3-(4-fluoro-3-pyridinyl)indazol-1-yl]-N-methylsulfonylbenzamide
CID 122458700
5-chloro-2-fluoro-4-(5-fluoro-3-pyridin-3-ylindazol-1-yl)-N-methylsulfonylbenzamide
CID 135356885
5-chloro-2-fluoro-N-methylsulfonyl-4-(3-pyridin-3-ylindazol-1-yl)benzamide
CID 135357056
8-Chloro-4-[(5-chloro-3-pyridinyl)amino]-6-propan-2-ylsulfonylquinoline-3-carboxamide
CID 11189860
6-(Benzenesulfonyl)-4-[(1-methylindazol-6-yl)amino]quinoline-3-carboxamide
CID 11271059
8-Chloro-4-(3-cyanoanilino)-6-methylsulfonylquinoline-3-carboxamide
CID 11315576
6-(Benzenesulfonyl)-8-methyl-4-[(1-methylindazol-6-yl)amino]quinoline-3-carboxamide
CID 11317395

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-[(1-methylindazol-6-yl)amino]-6-methylsulfonylquinoline-3-carboxamide?
The IUPAC name of 8-chloro-4-[(1-methylindazol-6-yl)amino]-6-methylsulfonylquinoline-3-carboxamide (CID 11270352) is 8-chloro-4-[(1-methylindazol-6-yl)amino]-6-methylsulfonylquinoline-3-carboxamide.
What is the SMILES notation for 8-chloro-4-[(1-methylindazol-6-yl)amino]-6-methylsulfonylquinoline-3-carboxamide?
The canonical SMILES for 8-chloro-4-[(1-methylindazol-6-yl)amino]-6-methylsulfonylquinoline-3-carboxamide is Cn1ncc2ccc(Nc3c(C(N)=O)cnc4c(Cl)cc(S(C)(=O)=O)cc34)cc21.
What is the InChIKey of 8-chloro-4-[(1-methylindazol-6-yl)amino]-6-methylsulfonylquinoline-3-carboxamide?
The InChIKey is RLDRCWMAJXSAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O3S/c1-25-16-5-11(4-3-10(16)8-23-25)24-17-13-6-12(29(2,27)28)7-15(20)18(13)22-9-14(17)19(21)26/h3-9H,1-2H3,(H2,21,26)(H,22,24).
What are the key properties of 8-chloro-4-[(1-methylindazol-6-yl)amino]-6-methylsulfonylquinoline-3-carboxamide?
8-chloro-4-[(1-methylindazol-6-yl)amino]-6-methylsulfonylquinoline-3-carboxamide has a molecular weight of 429.89 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-[(1-methylindazol-6-yl)amino]-6-methylsulfonylquinoline-3-carboxamide is sourced from PubChem (CID 11270352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).