N-(cyclopropylmethyl)-4-(5-hydroxy-2-methylanilino)quinoline-6-sulfonamide

C20H21N3O3S — CID 25023832

IUPACN-(cyclopropylmethyl)-4-(5-hydroxy-2-methylanilino)quinoline-6-sulfonamide
SMILESCc1ccc(O)cc1Nc1ccnc2ccc(S(=O)(=O)NCC3CC3)cc12
InChIInChI=1S/C20H21N3O3S/c1-13-2-5-15(24)10-20(13)23-19-8-9-21-18-7-6-16(11-17(18)19)27(25,26)22-12-14-3-4-14/h2,5-11,14,22,24H,3-4,12H2,1H3,(H,21,23)
InChIKeyFNXPJCFHZYAHIZ-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.68
Rot. Bonds6

About N-(cyclopropylmethyl)-4-(5-hydroxy-2-methylanilino)quinoline-6-sulfonamide

N-(cyclopropylmethyl)-4-(5-hydroxy-2-methylanilino)quinoline-6-sulfonamide (PubChem CID 25023832) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-(5-hydroxy-2-methylanilino)quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-(5-hydroxy-2-methylanilino)quinoline-6-sulfonamide
PubChem CID25023832
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-(cyclopropylmethyl)-4-(5-hydroxy-2-methylanilino)quinoline-6-sulfonamide
SMILESCc1ccc(O)cc1Nc1ccnc2ccc(S(=O)(=O)NCC3CC3)cc12
InChIInChI=1S/C20H21N3O3S/c1-13-2-5-15(24)10-20(13)23-19-8-9-21-18-7-6-16(11-17(18)19)27(25,26)22-12-14-3-4-14/h2,5-11,14,22,24H,3-4,12H2,1H3,(H,21,23)
InChIKeyFNXPJCFHZYAHIZ-UHFFFAOYSA-N
XLogP3.68
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-(5-hydroxy-2-methylanilino)quinoline-6-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-4-(5-hydroxy-2-methylanilino)quinoline-6-sulfonamide (CID 25023832) is N-(cyclopropylmethyl)-4-(5-hydroxy-2-methylanilino)quinoline-6-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-(5-hydroxy-2-methylanilino)quinoline-6-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-(5-hydroxy-2-methylanilino)quinoline-6-sulfonamide is Cc1ccc(O)cc1Nc1ccnc2ccc(S(=O)(=O)NCC3CC3)cc12.
What is the InChIKey of N-(cyclopropylmethyl)-4-(5-hydroxy-2-methylanilino)quinoline-6-sulfonamide?
The InChIKey is FNXPJCFHZYAHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-13-2-5-15(24)10-20(13)23-19-8-9-21-18-7-6-16(11-17(18)19)27(25,26)22-12-14-3-4-14/h2,5-11,14,22,24H,3-4,12H2,1H3,(H,21,23).
What are the key properties of N-(cyclopropylmethyl)-4-(5-hydroxy-2-methylanilino)quinoline-6-sulfonamide?
N-(cyclopropylmethyl)-4-(5-hydroxy-2-methylanilino)quinoline-6-sulfonamide has a molecular weight of 383.47 g/mol, XLogP of 3.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-(5-hydroxy-2-methylanilino)quinoline-6-sulfonamide is sourced from PubChem (CID 25023832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).