N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-benzothiophene-2-carboxamide

C20H18N2O3S — CID 91650934

IUPACN-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-benzothiophene-2-carboxamide
SMILESCOCN1C(=O)CCc2cc(NC(=O)c3cc4ccccc4s3)ccc21
InChIInChI=1S/C20H18N2O3S/c1-25-12-22-16-8-7-15(10-13(16)6-9-19(22)23)21-20(24)18-11-14-4-2-3-5-17(14)26-18/h2-5,7-8,10-11H,6,9,12H2,1H3,(H,21,24)
InChIKeyHPCUKUKVMXBSKD-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.04
Rot. Bonds4

About N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-benzothiophene-2-carboxamide

N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-benzothiophene-2-carboxamide (PubChem CID 91650934) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-benzothiophene-2-carboxamide
PubChem CID91650934
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-benzothiophene-2-carboxamide
SMILESCOCN1C(=O)CCc2cc(NC(=O)c3cc4ccccc4s3)ccc21
InChIInChI=1S/C20H18N2O3S/c1-25-12-22-16-8-7-15(10-13(16)6-9-19(22)23)21-20(24)18-11-14-4-2-3-5-17(14)26-18/h2-5,7-8,10-11H,6,9,12H2,1H3,(H,21,24)
InChIKeyHPCUKUKVMXBSKD-UHFFFAOYSA-N
XLogP4.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-methylpyrrole-2-carboxamide
CID 99840560
2-chloro-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-5-nitrobenzamide
CID 86818262
(2S,3R)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2,3-dimethylpentanamide
CID 99840589
2,2,3,3-tetrafluoro-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]propanamide
CID 119050626
(3S)-3-(diethylamino)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]pyrrolidine-1-carboxamide
CID 99802618
N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]naphthalene-1-carboxamide
CID 16927149
N-(3,4-diethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 42091036
2,6-dimethoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzamide
CID 16926742
2-ethoxy-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)naphthalene-1-carboxamide
CID 40946935
2-ethoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)naphthalene-1-carboxamide
CID 16926745
N-(4-aminophenyl)-1-benzothiophene-2-carboxamide
CID 22612941
phenyl N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamate
CID 27639376

Frequently Asked Questions

What is the IUPAC name of N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-benzothiophene-2-carboxamide (CID 91650934) is N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-benzothiophene-2-carboxamide is COCN1C(=O)CCc2cc(NC(=O)c3cc4ccccc4s3)ccc21.
What is the InChIKey of N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is HPCUKUKVMXBSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-25-12-22-16-8-7-15(10-13(16)6-9-19(22)23)21-20(24)18-11-14-4-2-3-5-17(14)26-18/h2-5,7-8,10-11H,6,9,12H2,1H3,(H,21,24).
What are the key properties of N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-benzothiophene-2-carboxamide?
N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 91650934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).