N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide

C18H16FN3O2S — CID 108802498

IUPACN-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2sc(C)c(C)c2C(N)=O)c2cc(F)ccc2n1
InChIInChI=1S/C18H16FN3O2S/c1-8-6-13(12-7-11(19)4-5-14(12)21-8)17(24)22-18-15(16(20)23)9(2)10(3)25-18/h4-7H,1-3H3,(H2,20,23)(H,22,24)
InChIKeyNVERMSXSCKRLIL-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.71
Rot. Bonds3

About N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide

N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide (PubChem CID 108802498) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide
PubChem CID108802498
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC NameN-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2sc(C)c(C)c2C(N)=O)c2cc(F)ccc2n1
InChIInChI=1S/C18H16FN3O2S/c1-8-6-13(12-7-11(19)4-5-14(12)21-8)17(24)22-18-15(16(20)23)9(2)10(3)25-18/h4-7H,1-3H3,(H2,20,23)(H,22,24)
InChIKeyNVERMSXSCKRLIL-UHFFFAOYSA-N
XLogP3.71
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide
CID 108802472
ethyl 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 4732263
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(2-methylphenyl)quinoline-4-carboxamide
CID 4296746
2-[(2,5-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 29280549
6-fluoro-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
CID 108789697
6-fluoro-2-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4732250
2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]-5-iodobenzoic acid
CID 108789589
6-fluoro-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylquinoline-4-carboxamide
CID 108802513
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4985663
1-N,3-N-bis(3-carbamoyl-4,5-dimethylthiophen-2-yl)benzene-1,3-dicarboxamide
CID 4144857
6-fluoro-N-(3-hydroxyphenyl)-2-methylquinoline-4-carboxamide
CID 108789542
6-fluoro-2-methyl-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4732260

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide (CID 108802498) is N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)Nc2sc(C)c(C)c2C(N)=O)c2cc(F)ccc2n1.
What is the InChIKey of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide?
The InChIKey is NVERMSXSCKRLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-8-6-13(12-7-11(19)4-5-14(12)21-8)17(24)22-18-15(16(20)23)9(2)10(3)25-18/h4-7H,1-3H3,(H2,20,23)(H,22,24).
What are the key properties of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide?
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 108802498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).