N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide

C25H21N3O3S — CID 17466944

IUPACN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccccc3SCC(N)=O)c3ccccc3n2)cc1
InChIInChI=1S/C25H21N3O3S/c1-31-17-12-10-16(11-13-17)22-14-19(18-6-2-3-7-20(18)27-22)25(30)28-21-8-4-5-9-23(21)32-15-24(26)29/h2-14H,15H2,1H3,(H2,26,29)(H,28,30)
InChIKeyCTHHWRHPTXYJHM-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.74
Rot. Bonds7

About N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 17466944) has the molecular formula C25H21N3O3S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
PubChem CID17466944
Molecular FormulaC25H21N3O3S
Molecular Weight443.53 g/mol
Exact Mass443.13
IUPAC NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccccc3SCC(N)=O)c3ccccc3n2)cc1
InChIInChI=1S/C25H21N3O3S/c1-31-17-12-10-16(11-13-17)22-14-19(18-6-2-3-7-20(18)27-22)25(30)28-21-8-4-5-9-23(21)32-15-24(26)29/h2-14H,15H2,1H3,(H2,26,29)(H,28,30)
InChIKeyCTHHWRHPTXYJHM-UHFFFAOYSA-N
XLogP4.74
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
N-(9,10-dioxoanthracen-1-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 3635002
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
N-(2,4-dibromophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4056955
2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylquinoline-4-carboxamide
CID 3253298
N-[2,6-di(propan-2-yl)phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4863761
2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
CID 24542943
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4557332
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-methoxybenzamide
CID 17449163
2-(4-methoxyphenyl)-N-[3-(propanoylamino)phenyl]quinoline-4-carboxamide
CID 46578599
2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 5094767
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide (CID 17466944) is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccccc3SCC(N)=O)c3ccccc3n2)cc1.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is CTHHWRHPTXYJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3S/c1-31-17-12-10-16(11-13-17)22-14-19(18-6-2-3-7-20(18)27-22)25(30)28-21-8-4-5-9-23(21)32-15-24(26)29/h2-14H,15H2,1H3,(H2,26,29)(H,28,30).
What are the key properties of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 443.53 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 17466944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).