N-[1-(4-fluorophenyl)ethyl]-1-(3-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide

C26H25FN2O2 — CID 132664986

IUPACN-[1-(4-fluorophenyl)ethyl]-1-(3-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCc1cccc(C(=O)N2CCCc3cc(C(=O)NC(C)c4ccc(F)cc4)ccc32)c1
InChIInChI=1S/C26H25FN2O2/c1-17-5-3-6-22(15-17)26(31)29-14-4-7-20-16-21(10-13-24(20)29)25(30)28-18(2)19-8-11-23(27)12-9-19/h3,5-6,8-13,15-16,18H,4,7,14H2,1-2H3,(H,28,30)
InChIKeyYOJFGCJUWMMKIZ-UHFFFAOYSA-N
MW416.50 g/mol
LogP5.22
Rot. Bonds4

About N-[1-(4-fluorophenyl)ethyl]-1-(3-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide

N-[1-(4-fluorophenyl)ethyl]-1-(3-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 132664986) has the molecular formula C26H25FN2O2 and a molecular weight of 416.50 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-1-(3-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-1-(3-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID132664986
Molecular FormulaC26H25FN2O2
Molecular Weight416.50 g/mol
Exact Mass416.19
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-1-(3-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCc1cccc(C(=O)N2CCCc3cc(C(=O)NC(C)c4ccc(F)cc4)ccc32)c1
InChIInChI=1S/C26H25FN2O2/c1-17-5-3-6-22(15-17)26(31)29-14-4-7-20-16-21(10-13-24(20)29)25(30)28-18(2)19-8-11-23(27)12-9-19/h3,5-6,8-13,15-16,18H,4,7,14H2,1-2H3,(H,28,30)
InChIKeyYOJFGCJUWMMKIZ-UHFFFAOYSA-N
XLogP5.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.50
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[1-[1-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinolin-6-yl]ethyl]benzamide
CID 159659623
4-fluoro-N-[1-[1-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinolin-6-yl]ethyl]benzamide;2,2,2-trifluoroacetate
CID 159659622
N-[1-(1-benzoyl-2,3-dihydroindol-5-yl)ethyl]-4-fluorobenzamide
CID 175217591
1-(3-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 94086752
N-[(2R)-butan-2-yl]-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 94086775
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone
CID 17480877
1-(4-fluorobenzoyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 29148983
1-acetyl-N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 24532068
4-chloro-N-[[1-(3-methylbenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide
CID 142580537
[3-(difluoromethoxy)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 24655662
4-fluoro-N-[1-[5-[3-(trifluoromethyl)benzoyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide
CID 142580553

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-1-(3-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-1-(3-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide (CID 132664986) is N-[1-(4-fluorophenyl)ethyl]-1-(3-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-1-(3-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-1-(3-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide is Cc1cccc(C(=O)N2CCCc3cc(C(=O)NC(C)c4ccc(F)cc4)ccc32)c1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-1-(3-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is YOJFGCJUWMMKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O2/c1-17-5-3-6-22(15-17)26(31)29-14-4-7-20-16-21(10-13-24(20)29)25(30)28-18(2)19-8-11-23(27)12-9-19/h3,5-6,8-13,15-16,18H,4,7,14H2,1-2H3,(H,28,30).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-1-(3-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-1-(3-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-1-(3-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 132664986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).