N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-methylquinoline-8-sulfonamide

C20H20N2O3S — CID 90635489

IUPACN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-methylquinoline-8-sulfonamide
SMILESCc1ccc2cccc(S(=O)(=O)NCC3Cc4ccccc4CO3)c2n1
InChIInChI=1S/C20H20N2O3S/c1-14-9-10-15-7-4-8-19(20(15)22-14)26(23,24)21-12-18-11-16-5-2-3-6-17(16)13-25-18/h2-10,18,21H,11-13H2,1H3
InChIKeyUHQATGCIWRKWNF-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.96
Rot. Bonds4

About N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-methylquinoline-8-sulfonamide

N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-methylquinoline-8-sulfonamide (PubChem CID 90635489) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-methylquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-methylquinoline-8-sulfonamide
PubChem CID90635489
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-methylquinoline-8-sulfonamide
SMILESCc1ccc2cccc(S(=O)(=O)NCC3Cc4ccccc4CO3)c2n1
InChIInChI=1S/C20H20N2O3S/c1-14-9-10-15-7-4-8-19(20(15)22-14)26(23,24)21-12-18-11-16-5-2-3-6-17(16)13-25-18/h2-10,18,21H,11-13H2,1H3
InChIKeyUHQATGCIWRKWNF-UHFFFAOYSA-N
XLogP2.96
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-methylquinoline-8-sulfonamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-methylquinoline-8-sulfonamide (CID 90635489) is N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-methylquinoline-8-sulfonamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-methylquinoline-8-sulfonamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-methylquinoline-8-sulfonamide is Cc1ccc2cccc(S(=O)(=O)NCC3Cc4ccccc4CO3)c2n1.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-methylquinoline-8-sulfonamide?
The InChIKey is UHQATGCIWRKWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-14-9-10-15-7-4-8-19(20(15)22-14)26(23,24)21-12-18-11-16-5-2-3-6-17(16)13-25-18/h2-10,18,21H,11-13H2,1H3.
What are the key properties of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-methylquinoline-8-sulfonamide?
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-methylquinoline-8-sulfonamide has a molecular weight of 368.46 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-methylquinoline-8-sulfonamide is sourced from PubChem (CID 90635489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).