ethane;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine

C21H28FN5O — CID 176715514

IUPACethane;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine
SMILESCC.CCc1cc(F)c2nc(N3CCC(N)C3)c(-c3nc(C)no3)c(C)c2c1
InChIInChI=1S/C19H22FN5O.C2H6/c1-4-12-7-14-10(2)16(19-22-11(3)24-26-19)18(23-17(14)15(20)8-12)25-6-5-13(21)9-25;1-2/h7-8,13H,4-6,9,21H2,1-3H3;1-2H3
InChIKeyNJBCVNASPGHXEP-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.17
Rot. Bonds3

About ethane;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine

ethane;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine (PubChem CID 176715514) has the molecular formula C21H28FN5O and a molecular weight of 385.49 g/mol. Its IUPAC name is ethane;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Nameethane;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine
PubChem CID176715514
Molecular FormulaC21H28FN5O
Molecular Weight385.49 g/mol
Exact Mass385.23
IUPAC Nameethane;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine
SMILESCC.CCc1cc(F)c2nc(N3CCC(N)C3)c(-c3nc(C)no3)c(C)c2c1
InChIInChI=1S/C19H22FN5O.C2H6/c1-4-12-7-14-10(2)16(19-22-11(3)24-26-19)18(23-17(14)15(20)8-12)25-6-5-13(21)9-25;1-2/h7-8,13H,4-6,9,21H2,1-3H3;1-2H3
InChIKeyNJBCVNASPGHXEP-UHFFFAOYSA-N
XLogP4.17
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[6-ethyl-8-fluoro-4-methyl-2-(3-methylpyrrolidin-1-yl)quinolin-3-yl]-3-methyl-1,2,4-oxadiazole;methanamine;1-methoxypropane
CID 176715508
1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
CID 137434175
5-(6-ethyl-8-fluoro-4-methyl-2-pyrrolidin-1-ylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;7-oxaspiro[3.5]nonan-2-amine
CID 176715531
1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-amine
CID 142491959
(3S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-ylmethyl)pyrrolidin-3-amine
CID 176715488
N-(cyclopropylmethyl)-3-fluoro-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine
CID 142432317
1-[8-chloro-6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one
CID 137434132
6-ethyl-8-fluoro-4-methyl-3-(1-methylpyrazol-3-yl)-2-(3-methylpyrrolidin-1-yl)quinoline
CID 176715475
1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2S)-1-methoxybutan-2-yl]piperidin-4-amine
CID 142432306
1-[6-cyclopropyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
CID 137434223
1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
CID 135329117
1-[6-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxolan-3-yl)piperidin-4-amine
CID 135329075

Frequently Asked Questions

What is the IUPAC name of ethane;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine?
The IUPAC name of ethane;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine (CID 176715514) is ethane;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for ethane;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine?
The canonical SMILES for ethane;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine is CC.CCc1cc(F)c2nc(N3CCC(N)C3)c(-c3nc(C)no3)c(C)c2c1.
What is the InChIKey of ethane;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine?
The InChIKey is NJBCVNASPGHXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O.C2H6/c1-4-12-7-14-10(2)16(19-22-11(3)24-26-19)18(23-17(14)15(20)8-12)25-6-5-13(21)9-25;1-2/h7-8,13H,4-6,9,21H2,1-3H3;1-2H3.
What are the key properties of ethane;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine?
ethane;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine has a molecular weight of 385.49 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 176715514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).