tert-butyl N-[(1S)-1-[4-(ethylcarbamoyl)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate

C24H27FN4O3 — CID 59634688

IUPACtert-butyl N-[(1S)-1-[4-(ethylcarbamoyl)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate
SMILESCCNC(=O)c1c(-c2ccccn2)c([C@H](C)NC(=O)OC(C)(C)C)nc2ccc(F)cc12
InChIInChI=1S/C24H27FN4O3/c1-6-26-22(30)19-16-13-15(25)10-11-17(16)29-21(20(19)18-9-7-8-12-27-18)14(2)28-23(31)32-24(3,4)5/h7-14H,6H2,1-5H3,(H,26,30)(H,28,31)/t14-/m0/s1
InChIKeyWVIQRAVLEKTZIT-AWEZNQCLSA-N
MW438.50 g/mol
LogP4.77
Rot. Bonds5

About tert-butyl N-[(1S)-1-[4-(ethylcarbamoyl)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate

tert-butyl N-[(1S)-1-[4-(ethylcarbamoyl)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate (PubChem CID 59634688) has the molecular formula C24H27FN4O3 and a molecular weight of 438.50 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-[4-(ethylcarbamoyl)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-[4-(ethylcarbamoyl)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate
PubChem CID59634688
Molecular FormulaC24H27FN4O3
Molecular Weight438.50 g/mol
Exact Mass438.21
IUPAC Nametert-butyl N-[(1S)-1-[4-(ethylcarbamoyl)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate
SMILESCCNC(=O)c1c(-c2ccccn2)c([C@H](C)NC(=O)OC(C)(C)C)nc2ccc(F)cc12
InChIInChI=1S/C24H27FN4O3/c1-6-26-22(30)19-16-13-15(25)10-11-17(16)29-21(20(19)18-9-7-8-12-27-18)14(2)28-23(31)32-24(3,4)5/h7-14H,6H2,1-5H3,(H,26,30)(H,28,31)/t14-/m0/s1
InChIKeyWVIQRAVLEKTZIT-AWEZNQCLSA-N
XLogP4.77
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate
CID 67595696
tert-butyl N-[1-[6-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate;1-[6-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridin-2-ylquinolin-2-yl]ethanamine
CID 161450425
tert-butyl N-[1-[4-[cyclopropyl(methyl)carbamoyl]-6-fluoro-3-phenylquinolin-2-yl]ethyl]carbamate
CID 68782951
tert-butyl N-[1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethyl]carbamate;1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethanamine
CID 161269157
4-amino-6-[1-[6-fluoro-4-(methylsulfonylmethyl)-3-phenylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile;tert-butyl N-[1-[6-fluoro-4-(methylsulfonylmethyl)-3-phenylquinolin-2-yl]ethyl]carbamate;1-[6-fluoro-4-(methylsulfonylmethyl)-3-phenylquinolin-2-yl]ethanamine
CID 160806258
tert-butyl N-(1-phenanthridin-6-ylethyl)carbamate
CID 141472588
tert-butyl N-[1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]carbamate
CID 73098567
5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid
CID 67124246
tert-butyl N-[1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)propyl]carbamate
CID 77456065
tert-butyl N-[1-(3-hydroxy-2-pyridinyl)ethyl]carbamate
CID 140527519
4-ethyl-5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid
CID 89466453
tert-butyl N-[4-(cyclopropylmethylcarbamoyl)-6-fluoro-3-phenylquinolin-2-yl]-N-ethylcarbamate
CID 67510888

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-[4-(ethylcarbamoyl)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-[4-(ethylcarbamoyl)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate (CID 59634688) is tert-butyl N-[(1S)-1-[4-(ethylcarbamoyl)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-[4-(ethylcarbamoyl)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-[4-(ethylcarbamoyl)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate is CCNC(=O)c1c(-c2ccccn2)c([C@H](C)NC(=O)OC(C)(C)C)nc2ccc(F)cc12.
What is the InChIKey of tert-butyl N-[(1S)-1-[4-(ethylcarbamoyl)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate?
The InChIKey is WVIQRAVLEKTZIT-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H27FN4O3/c1-6-26-22(30)19-16-13-15(25)10-11-17(16)29-21(20(19)18-9-7-8-12-27-18)14(2)28-23(31)32-24(3,4)5/h7-14H,6H2,1-5H3,(H,26,30)(H,28,31)/t14-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-[4-(ethylcarbamoyl)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate?
tert-butyl N-[(1S)-1-[4-(ethylcarbamoyl)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate has a molecular weight of 438.50 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-[4-(ethylcarbamoyl)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate is sourced from PubChem (CID 59634688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).