N-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-2-methylquinoline-4-carboxamide

C21H21FN2O3 — CID 46422325

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-2-methylquinoline-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(C)nc3cc(F)ccc23)cc1OC
InChIInChI=1S/C21H21FN2O3/c1-13-10-17(16-6-5-15(22)12-18(16)24-13)21(25)23-9-8-14-4-7-19(26-2)20(11-14)27-3/h4-7,10-12H,8-9H2,1-3H3,(H,23,25)
InChIKeyOECZPRYWRNJUHS-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.67
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-2-methylquinoline-4-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-2-methylquinoline-4-carboxamide (PubChem CID 46422325) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-2-methylquinoline-4-carboxamide
PubChem CID46422325
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-2-methylquinoline-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(C)nc3cc(F)ccc23)cc1OC
InChIInChI=1S/C21H21FN2O3/c1-13-10-17(16-6-5-15(22)12-18(16)24-13)21(25)23-9-8-14-4-7-19(26-2)20(11-14)27-3/h4-7,10-12H,8-9H2,1-3H3,(H,23,25)
InChIKeyOECZPRYWRNJUHS-UHFFFAOYSA-N
XLogP3.67
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-6-methylquinoline-4-carboxamide
CID 3276251
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 92648353
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2484643
5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31069458
N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-5-fluoro-2-methylbenzamide
CID 60618472
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 31757976
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide
CID 2353295
7-fluoro-2-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]quinoline-4-carboxamide
CID 70709976
7-fluoro-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinoline-3-carboxamide
CID 17484983
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 9083338
2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 1221492
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide
CID 16906942

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-2-methylquinoline-4-carboxamide (CID 46422325) is N-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-2-methylquinoline-4-carboxamide is COc1ccc(CCNC(=O)c2cc(C)nc3cc(F)ccc23)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-2-methylquinoline-4-carboxamide?
The InChIKey is OECZPRYWRNJUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-13-10-17(16-6-5-15(22)12-18(16)24-13)21(25)23-9-8-14-4-7-19(26-2)20(11-14)27-3/h4-7,10-12H,8-9H2,1-3H3,(H,23,25).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-2-methylquinoline-4-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-2-methylquinoline-4-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 46422325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).