2-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]quinoline-4-carboxamide

C22H25N3O4S — CID 46480420

IUPAC2-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCCN(C)S(C)(=O)=O)c3ccccc3n2)cc1
InChIInChI=1S/C22H25N3O4S/c1-25(30(3,27)28)14-6-13-23-22(26)19-15-21(16-9-11-17(29-2)12-10-16)24-20-8-5-4-7-18(19)20/h4-5,7-12,15H,6,13-14H2,1-3H3,(H,23,26)
InChIKeyCDYAIBDAIJCATO-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.92
Rot. Bonds8

About 2-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]quinoline-4-carboxamide

2-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]quinoline-4-carboxamide (PubChem CID 46480420) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]quinoline-4-carboxamide
PubChem CID46480420
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Name2-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCCN(C)S(C)(=O)=O)c3ccccc3n2)cc1
InChIInChI=1S/C22H25N3O4S/c1-25(30(3,27)28)14-6-13-23-22(26)19-15-21(16-9-11-17(29-2)12-10-16)24-20-8-5-4-7-18(19)20/h4-5,7-12,15H,6,13-14H2,1-3H3,(H,23,26)
InChIKeyCDYAIBDAIJCATO-UHFFFAOYSA-N
XLogP2.92
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 2078342
N-[3-[butyl(methyl)amino]propyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 4292431
N-[3-(dimethylamino)propyl]-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 3471977
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494
2-(4-ethoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]quinoline-4-carboxamide
CID 46098671
N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 24542876
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
N-[2-(ethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 9224382
2-(4-methoxyphenyl)-N-[(2R)-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 2165480
N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4540547
N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 2333756

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]quinoline-4-carboxamide (CID 46480420) is 2-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)NCCCN(C)S(C)(=O)=O)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]quinoline-4-carboxamide?
The InChIKey is CDYAIBDAIJCATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-25(30(3,27)28)14-6-13-23-22(26)19-15-21(16-9-11-17(29-2)12-10-16)24-20-8-5-4-7-18(19)20/h4-5,7-12,15H,6,13-14H2,1-3H3,(H,23,26).
What are the key properties of 2-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]quinoline-4-carboxamide?
2-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]quinoline-4-carboxamide has a molecular weight of 427.53 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]quinoline-4-carboxamide is sourced from PubChem (CID 46480420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).