(2S,4R)-2-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinoline-4-carboxamide

C18H24N4O2 — CID 95576424

IUPAC(2S,4R)-2-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinoline-4-carboxamide
SMILESCC(C)Cc1nc(CN2c3ccccc3[C@H](C(N)=O)C[C@@H]2C)no1
InChIInChI=1S/C18H24N4O2/c1-11(2)8-17-20-16(21-24-17)10-22-12(3)9-14(18(19)23)13-6-4-5-7-15(13)22/h4-7,11-12,14H,8-10H2,1-3H3,(H2,19,23)/t12-,14+/m0/s1
InChIKeySDMGADZHRQNFKC-GXTWGEPZSA-N
MW328.42 g/mol
LogP2.64
Rot. Bonds5

About (2S,4R)-2-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinoline-4-carboxamide

(2S,4R)-2-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinoline-4-carboxamide (PubChem CID 95576424) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2S,4R)-2-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(2S,4R)-2-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinoline-4-carboxamide
PubChem CID95576424
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(2S,4R)-2-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinoline-4-carboxamide
SMILESCC(C)Cc1nc(CN2c3ccccc3[C@H](C(N)=O)C[C@@H]2C)no1
InChIInChI=1S/C18H24N4O2/c1-11(2)8-17-20-16(21-24-17)10-22-12(3)9-14(18(19)23)13-6-4-5-7-15(13)22/h4-7,11-12,14H,8-10H2,1-3H3,(H2,19,23)/t12-,14+/m0/s1
InChIKeySDMGADZHRQNFKC-GXTWGEPZSA-N
XLogP2.64
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinoline-4-carboxamide?
The IUPAC name of (2S,4R)-2-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinoline-4-carboxamide (CID 95576424) is (2S,4R)-2-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinoline-4-carboxamide.
What is the SMILES notation for (2S,4R)-2-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinoline-4-carboxamide?
The canonical SMILES for (2S,4R)-2-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinoline-4-carboxamide is CC(C)Cc1nc(CN2c3ccccc3[C@H](C(N)=O)C[C@@H]2C)no1.
What is the InChIKey of (2S,4R)-2-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinoline-4-carboxamide?
The InChIKey is SDMGADZHRQNFKC-GXTWGEPZSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-11(2)8-17-20-16(21-24-17)10-22-12(3)9-14(18(19)23)13-6-4-5-7-15(13)22/h4-7,11-12,14H,8-10H2,1-3H3,(H2,19,23)/t12-,14+/m0/s1.
What are the key properties of (2S,4R)-2-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinoline-4-carboxamide?
(2S,4R)-2-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinoline-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinoline-4-carboxamide is sourced from PubChem (CID 95576424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).