(2R,4S)-1-[8-chloro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine

C24H30ClN5O2 — CID 135329009

IUPAC(2R,4S)-1-[8-chloro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine
SMILESCc1cc(Cl)c2nc(N3CC[C@H](N[C@H]4CCOC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1
InChIInChI=1S/C24H30ClN5O2/c1-13-9-19-15(3)21(24-26-16(4)29-32-24)23(28-22(19)20(25)10-13)30-7-5-17(11-14(30)2)27-18-6-8-31-12-18/h9-10,14,17-18,27H,5-8,11-12H2,1-4H3/t14-,17+,18+/m1/s1
InChIKeyWOWIUKIOHGPCIY-JLSDUUJJSA-N
MW455.99 g/mol
LogP4.60
Rot. Bonds4

About (2R,4S)-1-[8-chloro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine

(2R,4S)-1-[8-chloro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine (PubChem CID 135329009) has the molecular formula C24H30ClN5O2 and a molecular weight of 455.99 g/mol. Its IUPAC name is (2R,4S)-1-[8-chloro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name(2R,4S)-1-[8-chloro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine
PubChem CID135329009
Molecular FormulaC24H30ClN5O2
Molecular Weight455.99 g/mol
Exact Mass455.21
IUPAC Name(2R,4S)-1-[8-chloro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine
SMILESCc1cc(Cl)c2nc(N3CC[C@H](N[C@H]4CCOC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1
InChIInChI=1S/C24H30ClN5O2/c1-13-9-19-15(3)21(24-26-16(4)29-32-24)23(28-22(19)20(25)10-13)30-7-5-17(11-14(30)2)27-18-6-8-31-12-18/h9-10,14,17-18,27H,5-8,11-12H2,1-4H3/t14-,17+,18+/m1/s1
InChIKeyWOWIUKIOHGPCIY-JLSDUUJJSA-N
XLogP4.60
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.99
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R,4S)-1-[8-chloro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-[8-chloro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine?
The IUPAC name of (2R,4S)-1-[8-chloro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine (CID 135329009) is (2R,4S)-1-[8-chloro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine.
What is the SMILES notation for (2R,4S)-1-[8-chloro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine?
The canonical SMILES for (2R,4S)-1-[8-chloro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine is Cc1cc(Cl)c2nc(N3CC[C@H](N[C@H]4CCOC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.
What is the InChIKey of (2R,4S)-1-[8-chloro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine?
The InChIKey is WOWIUKIOHGPCIY-JLSDUUJJSA-N. The full InChI is InChI=1S/C24H30ClN5O2/c1-13-9-19-15(3)21(24-26-16(4)29-32-24)23(28-22(19)20(25)10-13)30-7-5-17(11-14(30)2)27-18-6-8-31-12-18/h9-10,14,17-18,27H,5-8,11-12H2,1-4H3/t14-,17+,18+/m1/s1.
What are the key properties of (2R,4S)-1-[8-chloro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine?
(2R,4S)-1-[8-chloro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine has a molecular weight of 455.99 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-[8-chloro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine is sourced from PubChem (CID 135329009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).