N-(3-ethyl-8-methylquinolin-7-yl)-2-fluoro-4-(4-fluorophenyl)benzamide

C25H20F2N2O — CID 142237216

IUPACN-(3-ethyl-8-methylquinolin-7-yl)-2-fluoro-4-(4-fluorophenyl)benzamide
SMILESCCc1cnc2c(C)c(NC(=O)c3ccc(-c4ccc(F)cc4)cc3F)ccc2c1
InChIInChI=1S/C25H20F2N2O/c1-3-16-12-19-7-11-23(15(2)24(19)28-14-16)29-25(30)21-10-6-18(13-22(21)27)17-4-8-20(26)9-5-17/h4-14H,3H2,1-2H3,(H,29,30)
InChIKeyOODMYJKYKPPVQJ-UHFFFAOYSA-N
MW402.44 g/mol
LogP6.30
Rot. Bonds4

About N-(3-ethyl-8-methylquinolin-7-yl)-2-fluoro-4-(4-fluorophenyl)benzamide

N-(3-ethyl-8-methylquinolin-7-yl)-2-fluoro-4-(4-fluorophenyl)benzamide (PubChem CID 142237216) has the molecular formula C25H20F2N2O and a molecular weight of 402.44 g/mol. Its IUPAC name is N-(3-ethyl-8-methylquinolin-7-yl)-2-fluoro-4-(4-fluorophenyl)benzamide.

Molecular Properties

Compound NameN-(3-ethyl-8-methylquinolin-7-yl)-2-fluoro-4-(4-fluorophenyl)benzamide
PubChem CID142237216
Molecular FormulaC25H20F2N2O
Molecular Weight402.44 g/mol
Exact Mass402.15
IUPAC NameN-(3-ethyl-8-methylquinolin-7-yl)-2-fluoro-4-(4-fluorophenyl)benzamide
SMILESCCc1cnc2c(C)c(NC(=O)c3ccc(-c4ccc(F)cc4)cc3F)ccc2c1
InChIInChI=1S/C25H20F2N2O/c1-3-16-12-19-7-11-23(15(2)24(19)28-14-16)29-25(30)21-10-6-18(13-22(21)27)17-4-8-20(26)9-5-17/h4-14H,3H2,1-2H3,(H,29,30)
InChIKeyOODMYJKYKPPVQJ-UHFFFAOYSA-N
XLogP6.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.44
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(aminomethyl)-8-methylquinolin-7-yl]-2-fluoro-4-(2-methylbutoxy)benzamide
CID 70821778
2-fluoro-N-[3-(hydroxymethyl)-8-methylquinolin-7-yl]-4-(2-methylbutoxy)benzamide
CID 70965895
N-[3-(aminomethyl)-8-methylquinolin-7-yl]-4-(cyclopropylmethoxy)-2-fluorobenzamide
CID 58111704
N-[3-[[4-(2-amino-2-oxoethyl)piperidin-1-yl]methyl]-8-methylquinolin-7-yl]-4-(4-fluorophenyl)benzamide
CID 18436146
N-[3-(aminomethyl)-8-methylquinolin-7-yl]-4-(hydroxymethyl)benzamide
CID 70965995
4-bromo-3-fluoro-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 18436011
4-(2-chlorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 18435919
2-[(2,4-difluorobenzoyl)amino]-4-phenylbenzoic acid
CID 67343264
4-bromo-N-[3-(chloromethyl)-8-ethylquinolin-7-yl]benzamide;hydrochloride
CID 18436015
2,4-difluoro-N-naphthalen-1-ylbenzamide
CID 2981920
4-ethyl-N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 20913801
N-[5-(aminomethyl)-2-pyridinyl]-2,4-difluorobenzamide
CID 62350431

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-8-methylquinolin-7-yl)-2-fluoro-4-(4-fluorophenyl)benzamide?
The IUPAC name of N-(3-ethyl-8-methylquinolin-7-yl)-2-fluoro-4-(4-fluorophenyl)benzamide (CID 142237216) is N-(3-ethyl-8-methylquinolin-7-yl)-2-fluoro-4-(4-fluorophenyl)benzamide.
What is the SMILES notation for N-(3-ethyl-8-methylquinolin-7-yl)-2-fluoro-4-(4-fluorophenyl)benzamide?
The canonical SMILES for N-(3-ethyl-8-methylquinolin-7-yl)-2-fluoro-4-(4-fluorophenyl)benzamide is CCc1cnc2c(C)c(NC(=O)c3ccc(-c4ccc(F)cc4)cc3F)ccc2c1.
What is the InChIKey of N-(3-ethyl-8-methylquinolin-7-yl)-2-fluoro-4-(4-fluorophenyl)benzamide?
The InChIKey is OODMYJKYKPPVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N2O/c1-3-16-12-19-7-11-23(15(2)24(19)28-14-16)29-25(30)21-10-6-18(13-22(21)27)17-4-8-20(26)9-5-17/h4-14H,3H2,1-2H3,(H,29,30).
What are the key properties of N-(3-ethyl-8-methylquinolin-7-yl)-2-fluoro-4-(4-fluorophenyl)benzamide?
N-(3-ethyl-8-methylquinolin-7-yl)-2-fluoro-4-(4-fluorophenyl)benzamide has a molecular weight of 402.44 g/mol, XLogP of 6.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-8-methylquinolin-7-yl)-2-fluoro-4-(4-fluorophenyl)benzamide is sourced from PubChem (CID 142237216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).