N-[7-methoxy-4-(3-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]propanamide

C20H22N2O3S — CID 169410752

IUPACN-[7-methoxy-4-(3-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]propanamide
SMILESCCC(=O)Nc1cc2c(cc1OC)NC(=O)CC2c1cccc(SC)c1
InChIInChI=1S/C20H22N2O3S/c1-4-19(23)22-17-9-15-14(12-6-5-7-13(8-12)26-3)10-20(24)21-16(15)11-18(17)25-2/h5-9,11,14H,4,10H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyYAIVWBGMHVQAFV-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.24
Rot. Bonds5

About N-[7-methoxy-4-(3-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]propanamide

N-[7-methoxy-4-(3-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]propanamide (PubChem CID 169410752) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[7-methoxy-4-(3-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]propanamide.

Molecular Properties

Compound NameN-[7-methoxy-4-(3-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]propanamide
PubChem CID169410752
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-[7-methoxy-4-(3-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]propanamide
SMILESCCC(=O)Nc1cc2c(cc1OC)NC(=O)CC2c1cccc(SC)c1
InChIInChI=1S/C20H22N2O3S/c1-4-19(23)22-17-9-15-14(12-6-5-7-13(8-12)26-3)10-20(24)21-16(15)11-18(17)25-2/h5-9,11,14H,4,10H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyYAIVWBGMHVQAFV-UHFFFAOYSA-N
XLogP4.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[7-methoxy-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-6-yl]propanamide
CID 169416972
N-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide
CID 50982799
2-methoxy-N-[6-methoxy-2-oxo-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-7-yl]acetamide
CID 169414742
6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 6624972
N-[(4R)-4-(2,1,3-benzothiadiazol-4-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide
CID 95147744
N-[4-(2-chloro-6-fluorophenyl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-methoxyacetamide
CID 169416411
N-[6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-quinolin-7-yl]propanamide
CID 171912632
6,7-dimethoxy-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 2962899
2-methoxy-N-[6-methoxy-4-(1-methylpyrazol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]acetamide
CID 169420804
6,7-dimethoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one
CID 2939263
N-[4-(2-ethyl-1-benzofuran-3-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]acetamide
CID 50976661
4-(3,4-dichlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 3158483

Frequently Asked Questions

What is the IUPAC name of N-[7-methoxy-4-(3-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]propanamide?
The IUPAC name of N-[7-methoxy-4-(3-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]propanamide (CID 169410752) is N-[7-methoxy-4-(3-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]propanamide.
What is the SMILES notation for N-[7-methoxy-4-(3-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]propanamide?
The canonical SMILES for N-[7-methoxy-4-(3-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]propanamide is CCC(=O)Nc1cc2c(cc1OC)NC(=O)CC2c1cccc(SC)c1.
What is the InChIKey of N-[7-methoxy-4-(3-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]propanamide?
The InChIKey is YAIVWBGMHVQAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-4-19(23)22-17-9-15-14(12-6-5-7-13(8-12)26-3)10-20(24)21-16(15)11-18(17)25-2/h5-9,11,14H,4,10H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[7-methoxy-4-(3-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]propanamide?
N-[7-methoxy-4-(3-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]propanamide has a molecular weight of 370.47 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-methoxy-4-(3-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]propanamide is sourced from PubChem (CID 169410752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).