1-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-oxoquinoline-4-carboxamide

C22H20N4O3S — CID 55756456

IUPAC1-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c2ccccc21
InChIInChI=1S/C22H20N4O3S/c1-25-18-5-3-2-4-15(18)16(13-20(25)27)21(28)23-14-6-7-17-19(12-14)30-22(24-17)26-8-10-29-11-9-26/h2-7,12-13H,8-11H2,1H3,(H,23,28)
InChIKeySZLQYVXGXMKSDZ-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.24
Rot. Bonds3

About 1-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-oxoquinoline-4-carboxamide

1-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-oxoquinoline-4-carboxamide (PubChem CID 55756456) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 1-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-oxoquinoline-4-carboxamide
PubChem CID55756456
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name1-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c2ccccc21
InChIInChI=1S/C22H20N4O3S/c1-25-18-5-3-2-4-15(18)16(13-20(25)27)21(28)23-14-6-7-17-19(12-14)30-22(24-17)26-8-10-29-11-9-26/h2-7,12-13H,8-11H2,1H3,(H,23,28)
InChIKeySZLQYVXGXMKSDZ-UHFFFAOYSA-N
XLogP3.24
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 9405180
2,5-dichloro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide
CID 37040838
2,4,5-trimethoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 17493258
2-(2-amino-2-oxoethyl)sulfanyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 55432876
4-chloro-2-fluoro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 25499411
1,3,5-trimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrazole-4-carboxamide
CID 99172414
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)furan-3-carboxamide
CID 27021882
3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 39761645
(2S,3R)-2,3-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
CID 41312650
(2R,3S)-2,3-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
CID 41312649
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 9166050
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 24576130

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-oxoquinoline-4-carboxamide?
The IUPAC name of 1-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-oxoquinoline-4-carboxamide (CID 55756456) is 1-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-oxoquinoline-4-carboxamide?
The canonical SMILES for 1-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-oxoquinoline-4-carboxamide is Cn1c(=O)cc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c2ccccc21.
What is the InChIKey of 1-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-oxoquinoline-4-carboxamide?
The InChIKey is SZLQYVXGXMKSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-25-18-5-3-2-4-15(18)16(13-20(25)27)21(28)23-14-6-7-17-19(12-14)30-22(24-17)26-8-10-29-11-9-26/h2-7,12-13H,8-11H2,1H3,(H,23,28).
What are the key properties of 1-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-oxoquinoline-4-carboxamide?
1-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-oxoquinoline-4-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 55756456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).