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

C22H25ClFN5O2 — CID 135329075

IUPAC1-[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
SMILESCc1noc(-c2c(N3CCC(NC4CCOC4)CC3)nc3c(F)cc(Cl)cc3c2C)n1
InChIInChI=1S/C22H25ClFN5O2/c1-12-17-9-14(23)10-18(24)20(17)27-21(19(12)22-25-13(2)28-31-22)29-6-3-15(4-7-29)26-16-5-8-30-11-16/h9-10,15-16,26H,3-8,11H2,1-2H3
InChIKeyDFJWLSVTFDHUSD-UHFFFAOYSA-N
MW445.93 g/mol
LogP4.04
Rot. Bonds4

About 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

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 (PubChem CID 135329075) has the molecular formula C22H25ClFN5O2 and a molecular weight of 445.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID135329075
Molecular FormulaC22H25ClFN5O2
Molecular Weight445.93 g/mol
Exact Mass445.17
IUPAC Name1-[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
SMILESCc1noc(-c2c(N3CCC(NC4CCOC4)CC3)nc3c(F)cc(Cl)cc3c2C)n1
InChIInChI=1S/C22H25ClFN5O2/c1-12-17-9-14(23)10-18(24)20(17)27-21(19(12)22-25-13(2)28-31-22)29-6-3-15(4-7-29)26-16-5-8-30-11-16/h9-10,15-16,26H,3-8,11H2,1-2H3
InChIKeyDFJWLSVTFDHUSD-UHFFFAOYSA-N
XLogP4.04
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

1-[6-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-3-yl)piperidin-4-amine
CID 135329064
1-[6-bromo-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxan-3-yl]piperidin-4-amine
CID 137434273
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-[6-chloro-8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine
CID 137434153
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
1-[6-cyclobutyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
CID 135329123
1-[8-fluoro-6-(1-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
CID 137434559
1-[8-fluoro-6-[(1R)-1-fluoroethyl]-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
CID 137434244
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
(2R,4S)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine
CID 135329026
(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethyl)quinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine;(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trideuteriomethyl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine
CID 158757594
1-[6-ethyl-8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine
CID 137434204

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1noc(-c2c(N3CCC(NC4CCOC4)CC3)nc3c(F)cc(Cl)cc3c2C)n1.
What is the InChIKey of 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?
The InChIKey is DFJWLSVTFDHUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN5O2/c1-12-17-9-14(23)10-18(24)20(17)27-21(19(12)22-25-13(2)28-31-22)29-6-3-15(4-7-29)26-16-5-8-30-11-16/h9-10,15-16,26H,3-8,11H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 445.93 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 135329075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).