N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-8-fluoro-N-methylquinoline-2-carboxamide

C18H18FN3OS — CID 70722846

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-8-fluoro-N-methylquinoline-2-carboxamide
SMILESCc1nc(C(C)N(C)C(=O)c2ccc3cccc(F)c3n2)c(C)s1
InChIInChI=1S/C18H18FN3OS/c1-10(16-11(2)24-12(3)20-16)22(4)18(23)15-9-8-13-6-5-7-14(19)17(13)21-15/h5-10H,1-4H3
InChIKeyNAOVTMZQAXKBGE-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.28
Rot. Bonds3

About N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-8-fluoro-N-methylquinoline-2-carboxamide

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-8-fluoro-N-methylquinoline-2-carboxamide (PubChem CID 70722846) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-8-fluoro-N-methylquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-8-fluoro-N-methylquinoline-2-carboxamide
PubChem CID70722846
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-8-fluoro-N-methylquinoline-2-carboxamide
SMILESCc1nc(C(C)N(C)C(=O)c2ccc3cccc(F)c3n2)c(C)s1
InChIInChI=1S/C18H18FN3OS/c1-10(16-11(2)24-12(3)20-16)22(4)18(23)15-9-8-13-6-5-7-14(19)17(13)21-15/h5-10H,1-4H3
InChIKeyNAOVTMZQAXKBGE-UHFFFAOYSA-N
XLogP4.28
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-8-fluoro-N-methylquinoline-2-carboxamide
CID 97118670
2-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-fluoro-N,3-dimethylbenzamide
CID 97155572
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 70716880
N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1-phenyltriazole-4-carboxamide
CID 95714793
5-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylthiophene-2-carboxamide
CID 96575331
4-chloro-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 126425178
1-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 126433011
N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide
CID 97204849
3-(2H-benzotriazol-4-yl)-1-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methylurea
CID 125170836
N-(2,2-dimethoxyethyl)-8-fluoroquinoline-2-carboxamide
CID 110464548
N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 97112213
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-4-(1,2,4-triazol-4-yl)benzamide
CID 70788438

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-8-fluoro-N-methylquinoline-2-carboxamide?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-8-fluoro-N-methylquinoline-2-carboxamide (CID 70722846) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-8-fluoro-N-methylquinoline-2-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-8-fluoro-N-methylquinoline-2-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-8-fluoro-N-methylquinoline-2-carboxamide is Cc1nc(C(C)N(C)C(=O)c2ccc3cccc(F)c3n2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-8-fluoro-N-methylquinoline-2-carboxamide?
The InChIKey is NAOVTMZQAXKBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS/c1-10(16-11(2)24-12(3)20-16)22(4)18(23)15-9-8-13-6-5-7-14(19)17(13)21-15/h5-10H,1-4H3.
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-8-fluoro-N-methylquinoline-2-carboxamide?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-8-fluoro-N-methylquinoline-2-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-8-fluoro-N-methylquinoline-2-carboxamide is sourced from PubChem (CID 70722846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).