N-[2-[3-(dimethylamino)propoxy]-5-(4-methyl-3-oxo-[1,4]thiazino[3,2-c]quinolin-9-yl)-3-pyridinyl]cyclopropanesulfonamide

C25H29N5O4S2 — CID 177253938

IUPACN-[2-[3-(dimethylamino)propoxy]-5-(4-methyl-3-oxo-[1,4]thiazino[3,2-c]quinolin-9-yl)-3-pyridinyl]cyclopropanesulfonamide
SMILESCN(C)CCCOc1ncc(-c2ccc3ncc4c(c3c2)SCC(=O)N4C)cc1NS(=O)(=O)C1CC1
InChIInChI=1S/C25H29N5O4S2/c1-29(2)9-4-10-34-25-21(28-36(32,33)18-6-7-18)12-17(13-27-25)16-5-8-20-19(11-16)24-22(14-26-20)30(3)23(31)15-35-24/h5,8,11-14,18,28H,4,6-7,9-10,15H2,1-3H3
InChIKeyLEVFXRCJWMLLNP-UHFFFAOYSA-N
MW527.67 g/mol
LogP3.60
Rot. Bonds9

About N-[2-[3-(dimethylamino)propoxy]-5-(4-methyl-3-oxo-[1,4]thiazino[3,2-c]quinolin-9-yl)-3-pyridinyl]cyclopropanesulfonamide

N-[2-[3-(dimethylamino)propoxy]-5-(4-methyl-3-oxo-[1,4]thiazino[3,2-c]quinolin-9-yl)-3-pyridinyl]cyclopropanesulfonamide (PubChem CID 177253938) has the molecular formula C25H29N5O4S2 and a molecular weight of 527.67 g/mol. Its IUPAC name is N-[2-[3-(dimethylamino)propoxy]-5-(4-methyl-3-oxo-[1,4]thiazino[3,2-c]quinolin-9-yl)-3-pyridinyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(dimethylamino)propoxy]-5-(4-methyl-3-oxo-[1,4]thiazino[3,2-c]quinolin-9-yl)-3-pyridinyl]cyclopropanesulfonamide
PubChem CID177253938
Molecular FormulaC25H29N5O4S2
Molecular Weight527.67 g/mol
Exact Mass527.17
IUPAC NameN-[2-[3-(dimethylamino)propoxy]-5-(4-methyl-3-oxo-[1,4]thiazino[3,2-c]quinolin-9-yl)-3-pyridinyl]cyclopropanesulfonamide
SMILESCN(C)CCCOc1ncc(-c2ccc3ncc4c(c3c2)SCC(=O)N4C)cc1NS(=O)(=O)C1CC1
InChIInChI=1S/C25H29N5O4S2/c1-29(2)9-4-10-34-25-21(28-36(32,33)18-6-7-18)12-17(13-27-25)16-5-8-20-19(11-16)24-22(14-26-20)30(3)23(31)15-35-24/h5,8,11-14,18,28H,4,6-7,9-10,15H2,1-3H3
InChIKeyLEVFXRCJWMLLNP-UHFFFAOYSA-N
XLogP3.60
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.67
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[3-(dimethylamino)propoxy]-5-(4-methyl-3-oxo-[1,4]thiazino[3,2-c]quinolin-9-yl)-3-pyridinyl]cyclopropanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(dimethylamino)propoxy]-5-(4-methyl-3-oxo-[1,4]thiazino[3,2-c]quinolin-9-yl)-3-pyridinyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-[3-(dimethylamino)propoxy]-5-(4-methyl-3-oxo-[1,4]thiazino[3,2-c]quinolin-9-yl)-3-pyridinyl]cyclopropanesulfonamide (CID 177253938) is N-[2-[3-(dimethylamino)propoxy]-5-(4-methyl-3-oxo-[1,4]thiazino[3,2-c]quinolin-9-yl)-3-pyridinyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-[3-(dimethylamino)propoxy]-5-(4-methyl-3-oxo-[1,4]thiazino[3,2-c]quinolin-9-yl)-3-pyridinyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-[3-(dimethylamino)propoxy]-5-(4-methyl-3-oxo-[1,4]thiazino[3,2-c]quinolin-9-yl)-3-pyridinyl]cyclopropanesulfonamide is CN(C)CCCOc1ncc(-c2ccc3ncc4c(c3c2)SCC(=O)N4C)cc1NS(=O)(=O)C1CC1.
What is the InChIKey of N-[2-[3-(dimethylamino)propoxy]-5-(4-methyl-3-oxo-[1,4]thiazino[3,2-c]quinolin-9-yl)-3-pyridinyl]cyclopropanesulfonamide?
The InChIKey is LEVFXRCJWMLLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4S2/c1-29(2)9-4-10-34-25-21(28-36(32,33)18-6-7-18)12-17(13-27-25)16-5-8-20-19(11-16)24-22(14-26-20)30(3)23(31)15-35-24/h5,8,11-14,18,28H,4,6-7,9-10,15H2,1-3H3.
What are the key properties of N-[2-[3-(dimethylamino)propoxy]-5-(4-methyl-3-oxo-[1,4]thiazino[3,2-c]quinolin-9-yl)-3-pyridinyl]cyclopropanesulfonamide?
N-[2-[3-(dimethylamino)propoxy]-5-(4-methyl-3-oxo-[1,4]thiazino[3,2-c]quinolin-9-yl)-3-pyridinyl]cyclopropanesulfonamide has a molecular weight of 527.67 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(dimethylamino)propoxy]-5-(4-methyl-3-oxo-[1,4]thiazino[3,2-c]quinolin-9-yl)-3-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 177253938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).