2-[[8-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methylsulfanyl]propanamide

C22H26N2O2S — CID 90895340

IUPAC2-[[8-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methylsulfanyl]propanamide
SMILESCOc1ccccc1-c1cccc2c1NC(C)(C)C=C2CSC(C)C(N)=O
InChIInChI=1S/C22H26N2O2S/c1-14(21(23)25)27-13-15-12-22(2,3)24-20-16(15)9-7-10-18(20)17-8-5-6-11-19(17)26-4/h5-12,14,24H,13H2,1-4H3,(H2,23,25)
InChIKeyBATSVARNHPFGJK-UHFFFAOYSA-N
MW382.53 g/mol
LogP4.56
Rot. Bonds6

About 2-[[8-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methylsulfanyl]propanamide

2-[[8-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methylsulfanyl]propanamide (PubChem CID 90895340) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is 2-[[8-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methylsulfanyl]propanamide.

Molecular Properties

Compound Name2-[[8-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methylsulfanyl]propanamide
PubChem CID90895340
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC Name2-[[8-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methylsulfanyl]propanamide
SMILESCOc1ccccc1-c1cccc2c1NC(C)(C)C=C2CSC(C)C(N)=O
InChIInChI=1S/C22H26N2O2S/c1-14(21(23)25)27-13-15-12-22(2,3)24-20-16(15)9-7-10-18(20)17-8-5-6-11-19(17)26-4/h5-12,14,24H,13H2,1-4H3,(H2,23,25)
InChIKeyBATSVARNHPFGJK-UHFFFAOYSA-N
XLogP4.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[8-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methylsulfanyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

8-(2-methoxyphenyl)-2,2-dimethyl-4-(prop-2-enylsulfanylmethyl)-1H-quinoline
CID 69153225
8-(2-methoxyphenyl)-2,2-dimethyl-4-(2-phenyl-1-prop-2-enoxyethyl)-1H-quinoline
CID 69153969
4-[(3,5-dichlorophenyl)sulfanylmethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline
CID 10479191
2-(2-methoxyphenoxy)propanediamide
CID 141374982
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
[6-(2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methyl thiophene-2-carboxylate
CID 16659992
2-[2-(2-methoxyphenyl)phenyl]benzoic acid
CID 67896375
(1-aminocyclopropyl)-(2,6-dimethoxyphenyl)methanone
CID 116811529
2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylpropan-1-one
CID 3926139
6-(2-methoxyphenyl)-2,2-dimethyl-4-[2-(1-phenylethoxy)ethyl]-1H-quinoline
CID 10387054
(2-methoxyphenyl) 2-methylpropanoate
CID 836904
6-(2-methoxyphenyl)-2,2,4-trimethyl-5-(phenylsulfanylmethyl)-1H-quinoline
CID 16660985

Frequently Asked Questions

What is the IUPAC name of 2-[[8-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methylsulfanyl]propanamide?
The IUPAC name of 2-[[8-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methylsulfanyl]propanamide (CID 90895340) is 2-[[8-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methylsulfanyl]propanamide.
What is the SMILES notation for 2-[[8-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methylsulfanyl]propanamide?
The canonical SMILES for 2-[[8-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methylsulfanyl]propanamide is COc1ccccc1-c1cccc2c1NC(C)(C)C=C2CSC(C)C(N)=O.
What is the InChIKey of 2-[[8-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methylsulfanyl]propanamide?
The InChIKey is BATSVARNHPFGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2S/c1-14(21(23)25)27-13-15-12-22(2,3)24-20-16(15)9-7-10-18(20)17-8-5-6-11-19(17)26-4/h5-12,14,24H,13H2,1-4H3,(H2,23,25).
What are the key properties of 2-[[8-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methylsulfanyl]propanamide?
2-[[8-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methylsulfanyl]propanamide has a molecular weight of 382.53 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methylsulfanyl]propanamide is sourced from PubChem (CID 90895340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).