benzyl N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate

C25H23FN2O3 — CID 68918237

IUPACbenzyl N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
SMILESCC1CC(NC(=O)OCc2ccccc2)c2ccccc2N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C25H23FN2O3/c1-17-15-22(27-25(30)31-16-18-7-3-2-4-8-18)21-9-5-6-10-23(21)28(17)24(29)19-11-13-20(26)14-12-19/h2-14,17,22H,15-16H2,1H3,(H,27,30)
InChIKeyIEUODYMBHZDCGM-UHFFFAOYSA-N
MW418.47 g/mol
LogP5.23
Rot. Bonds4

About benzyl N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate

benzyl N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate (PubChem CID 68918237) has the molecular formula C25H23FN2O3 and a molecular weight of 418.47 g/mol. Its IUPAC name is benzyl N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
PubChem CID68918237
Molecular FormulaC25H23FN2O3
Molecular Weight418.47 g/mol
Exact Mass418.17
IUPAC Namebenzyl N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
SMILESCC1CC(NC(=O)OCc2ccccc2)c2ccccc2N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C25H23FN2O3/c1-17-15-22(27-25(30)31-16-18-7-3-2-4-8-18)21-9-5-6-10-23(21)28(17)24(29)19-11-13-20(26)14-12-19/h2-14,17,22H,15-16H2,1H3,(H,27,30)
InChIKeyIEUODYMBHZDCGM-UHFFFAOYSA-N
XLogP5.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.47
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[1-(6-chloropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 87624420
[(2S,4R)-4-amino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone
CID 68923463
1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 69401406
benzyl N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)carbamate
CID 110751410
[(2R,4R)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
CID 118870735
[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methoxyphenyl)methanone
CID 1102966
(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone
CID 585634
[1-(6-chloropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamic acid
CID 21092862
(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-bromophenyl)methanone
CID 2843974
ethyl (2R,4S)-2-methyl-4-(phenylmethoxycarbonylamino)-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate
CID 15485715
1-[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 1068528
N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-methyl-N-phenylbutanamide
CID 58859900

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The IUPAC name of benzyl N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate (CID 68918237) is benzyl N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate.
What is the SMILES notation for benzyl N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The canonical SMILES for benzyl N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate is CC1CC(NC(=O)OCc2ccccc2)c2ccccc2N1C(=O)c1ccc(F)cc1.
What is the InChIKey of benzyl N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The InChIKey is IEUODYMBHZDCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O3/c1-17-15-22(27-25(30)31-16-18-7-3-2-4-8-18)21-9-5-6-10-23(21)28(17)24(29)19-11-13-20(26)14-12-19/h2-14,17,22H,15-16H2,1H3,(H,27,30).
What are the key properties of benzyl N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
benzyl N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate has a molecular weight of 418.47 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate is sourced from PubChem (CID 68918237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).