N-[(4R)-4-(2,1,3-benzothiadiazol-4-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide

C20H20N4O3S — CID 95147744

IUPACN-[(4R)-4-(2,1,3-benzothiadiazol-4-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide
SMILESCCCC(=O)Nc1cc2c(cc1OC)NC(=O)C[C@H]2c1cccc2nsnc12
InChIInChI=1S/C20H20N4O3S/c1-3-5-18(25)22-16-8-13-12(9-19(26)21-15(13)10-17(16)27-2)11-6-4-7-14-20(11)24-28-23-14/h4,6-8,10,12H,3,5,9H2,1-2H3,(H,21,26)(H,22,25)/t12-/m0/s1
InChIKeyOMXXLQNSBWMAPS-LBPRGKRZSA-N
MW396.47 g/mol
LogP3.91
Rot. Bonds5

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

N-[(4R)-4-(2,1,3-benzothiadiazol-4-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide (PubChem CID 95147744) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[(4R)-4-(2,1,3-benzothiadiazol-4-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide.

Molecular Properties

Compound NameN-[(4R)-4-(2,1,3-benzothiadiazol-4-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide
PubChem CID95147744
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-[(4R)-4-(2,1,3-benzothiadiazol-4-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide
SMILESCCCC(=O)Nc1cc2c(cc1OC)NC(=O)C[C@H]2c1cccc2nsnc12
InChIInChI=1S/C20H20N4O3S/c1-3-5-18(25)22-16-8-13-12(9-19(26)21-15(13)10-17(16)27-2)11-6-4-7-14-20(11)24-28-23-14/h4,6-8,10,12H,3,5,9H2,1-2H3,(H,21,26)(H,22,25)/t12-/m0/s1
InChIKeyOMXXLQNSBWMAPS-LBPRGKRZSA-N
XLogP3.91
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

(9R)-9-(2,1,3-benzothiadiazol-4-yl)-4-ethyl-8,9-dihydro-6H-pyrido[2,3-g][1,4]benzoxazine-3,7-dione
CID 95144264
N-[7-methoxy-4-(3-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]propanamide
CID 169410752
N-[7-methoxy-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-6-yl]propanamide
CID 169416972
N-[6-methoxy-4-[2-(2-methylprop-2-enoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]acetamide
CID 50959115
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
N-[4-(2-ethyl-1-benzofuran-3-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]acetamide
CID 50976661
N-[4-(2-chloro-6-fluorophenyl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-methoxyacetamide
CID 169416411
6,7-diethoxy-4-(2-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 3162399
(9R)-9-(3,4-dihydroxy-5-methoxyphenyl)-8,9-dihydro-6H-[1,2,5]thiadiazolo[3,4-f]quinolin-7-one
CID 136699388
N-[7-methoxy-4-(1-methyl-2-oxoquinolin-3-yl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]acetamide
CID 171911142
methyl 2-[2-[(4S)-6-hydroxy-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetate
CID 95122054

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-4-(2,1,3-benzothiadiazol-4-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide?
The IUPAC name of N-[(4R)-4-(2,1,3-benzothiadiazol-4-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide (CID 95147744) is N-[(4R)-4-(2,1,3-benzothiadiazol-4-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide.
What is the SMILES notation for N-[(4R)-4-(2,1,3-benzothiadiazol-4-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide?
The canonical SMILES for N-[(4R)-4-(2,1,3-benzothiadiazol-4-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide is CCCC(=O)Nc1cc2c(cc1OC)NC(=O)C[C@H]2c1cccc2nsnc12.
What is the InChIKey of N-[(4R)-4-(2,1,3-benzothiadiazol-4-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide?
The InChIKey is OMXXLQNSBWMAPS-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-3-5-18(25)22-16-8-13-12(9-19(26)21-15(13)10-17(16)27-2)11-6-4-7-14-20(11)24-28-23-14/h4,6-8,10,12H,3,5,9H2,1-2H3,(H,21,26)(H,22,25)/t12-/m0/s1.
What are the key properties of N-[(4R)-4-(2,1,3-benzothiadiazol-4-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide?
N-[(4R)-4-(2,1,3-benzothiadiazol-4-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide has a molecular weight of 396.47 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-4-(2,1,3-benzothiadiazol-4-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide is sourced from PubChem (CID 95147744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).