N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-10-oxopentacyclo[5.3.0.02,5.03,9.04,8]decane-3-carboxamide

C24H21N3O3S — CID 167906615

IUPACN-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-10-oxopentacyclo[5.3.0.02,5.03,9.04,8]decane-3-carboxamide
SMILESCc1sc(NC(=O)C23C4C(=O)C5C6CC(C52)C3C64)nc1-c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C24H21N3O3S/c1-8-20(10-2-4-13-9(6-10)3-5-14(28)25-13)26-23(31-8)27-22(30)24-17-12-7-11-15(17)19(24)21(29)16(11)18(12)24/h2,4,6,11-12,15-19H,3,5,7H2,1H3,(H,25,28)(H,26,27,30)
InChIKeyIMMYFZOMMFIGEH-UHFFFAOYSA-N
MW431.52 g/mol
LogP3.27
Rot. Bonds3

About N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-10-oxopentacyclo[5.3.0.02,5.03,9.04,8]decane-3-carboxamide

N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-10-oxopentacyclo[5.3.0.02,5.03,9.04,8]decane-3-carboxamide (PubChem CID 167906615) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-10-oxopentacyclo[5.3.0.02,5.03,9.04,8]decane-3-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-10-oxopentacyclo[5.3.0.02,5.03,9.04,8]decane-3-carboxamide
PubChem CID167906615
Molecular FormulaC24H21N3O3S
Molecular Weight431.52 g/mol
Exact Mass431.13
IUPAC NameN-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-10-oxopentacyclo[5.3.0.02,5.03,9.04,8]decane-3-carboxamide
SMILESCc1sc(NC(=O)C23C4C(=O)C5C6CC(C52)C3C64)nc1-c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C24H21N3O3S/c1-8-20(10-2-4-13-9(6-10)3-5-14(28)25-13)26-23(31-8)27-22(30)24-17-12-7-11-15(17)19(24)21(29)16(11)18(12)24/h2,4,6,11-12,15-19H,3,5,7H2,1H3,(H,25,28)(H,26,27,30)
InChIKeyIMMYFZOMMFIGEH-UHFFFAOYSA-N
XLogP3.27
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-10-oxopentacyclo[5.3.0.02,5.03,9.04,8]decane-3-carboxamide with MolForge

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Related Compounds

(2S,5R)-2-N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]oxolane-2,5-dicarboxamide
CID 146147638
N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide
CID 167964916
2-(4-methyl-1H-indol-3-yl)-N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]acetamide
CID 166217461
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide;hydrochloride
CID 2894436
N-[5-methyl-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide
CID 20995386
6-(5-fluoro-2-methyl-1H-imidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 166047857
6-(5-amino-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82481969
N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120630964
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 43038266
N-[5-methyl-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 20995404
6-[6-methyl-2-(methylamino)pyrimidin-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 116894637
1-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119266987

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-10-oxopentacyclo[5.3.0.02,5.03,9.04,8]decane-3-carboxamide?
The IUPAC name of N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-10-oxopentacyclo[5.3.0.02,5.03,9.04,8]decane-3-carboxamide (CID 167906615) is N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-10-oxopentacyclo[5.3.0.02,5.03,9.04,8]decane-3-carboxamide.
What is the SMILES notation for N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-10-oxopentacyclo[5.3.0.02,5.03,9.04,8]decane-3-carboxamide?
The canonical SMILES for N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-10-oxopentacyclo[5.3.0.02,5.03,9.04,8]decane-3-carboxamide is Cc1sc(NC(=O)C23C4C(=O)C5C6CC(C52)C3C64)nc1-c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-10-oxopentacyclo[5.3.0.02,5.03,9.04,8]decane-3-carboxamide?
The InChIKey is IMMYFZOMMFIGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S/c1-8-20(10-2-4-13-9(6-10)3-5-14(28)25-13)26-23(31-8)27-22(30)24-17-12-7-11-15(17)19(24)21(29)16(11)18(12)24/h2,4,6,11-12,15-19H,3,5,7H2,1H3,(H,25,28)(H,26,27,30).
What are the key properties of N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-10-oxopentacyclo[5.3.0.02,5.03,9.04,8]decane-3-carboxamide?
N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-10-oxopentacyclo[5.3.0.02,5.03,9.04,8]decane-3-carboxamide has a molecular weight of 431.52 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-10-oxopentacyclo[5.3.0.02,5.03,9.04,8]decane-3-carboxamide is sourced from PubChem (CID 167906615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).