(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-propan-2-ylquinoline-4-carboxylate

C17H17N3O3 — CID 18199717

IUPAC(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-propan-2-ylquinoline-4-carboxylate
SMILESCc1nnc(COC(=O)c2cc(C(C)C)nc3ccccc23)o1
InChIInChI=1S/C17H17N3O3/c1-10(2)15-8-13(12-6-4-5-7-14(12)18-15)17(21)22-9-16-20-19-11(3)23-16/h4-8,10H,9H2,1-3H3
InChIKeyFSUVSLGOZIFDJQ-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.41
Rot. Bonds4

About (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-propan-2-ylquinoline-4-carboxylate

(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-propan-2-ylquinoline-4-carboxylate (PubChem CID 18199717) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-propan-2-ylquinoline-4-carboxylate.

Molecular Properties

Compound Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-propan-2-ylquinoline-4-carboxylate
PubChem CID18199717
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-propan-2-ylquinoline-4-carboxylate
SMILESCc1nnc(COC(=O)c2cc(C(C)C)nc3ccccc23)o1
InChIInChI=1S/C17H17N3O3/c1-10(2)15-8-13(12-6-4-5-7-14(12)18-15)17(21)22-9-16-20-19-11(3)23-16/h4-8,10H,9H2,1-3H3
InChIKeyFSUVSLGOZIFDJQ-UHFFFAOYSA-N
XLogP3.41
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-propan-2-ylquinoline-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 8820337
(1-amino-1-oxopropan-2-yl) 2-propan-2-ylquinoline-4-carboxylate
CID 42886576
3-cyanopropyl 2-propan-2-ylquinoline-4-carboxylate
CID 46675585
(5-methyl-1,3,4-oxadiazol-2-yl)methyl quinoline-2-carboxylate
CID 7812565
[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylquinoline-4-carboxylate
CID 2484445
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-propan-2-ylquinoline-4-carboxylate
CID 51210301
N-phenylmethoxy-2-propan-2-ylquinoline-4-carboxamide
CID 32579560
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-benzylindole-3-carboxylate
CID 56810356
[2-(N-acetyl-2,4,6-trimethylanilino)-1,3-thiazol-4-yl]methyl 2-propan-2-ylquinoline-4-carboxylate
CID 27803264
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2647320
benzyl 2-methylquinoline-4-carboxylate
CID 804130
N-(2-aminopropoxy)-2-propan-2-ylquinoline-4-carboxamide
CID 146077349

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-propan-2-ylquinoline-4-carboxylate?
The IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-propan-2-ylquinoline-4-carboxylate (CID 18199717) is (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-propan-2-ylquinoline-4-carboxylate.
What is the SMILES notation for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-propan-2-ylquinoline-4-carboxylate?
The canonical SMILES for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-propan-2-ylquinoline-4-carboxylate is Cc1nnc(COC(=O)c2cc(C(C)C)nc3ccccc23)o1.
What is the InChIKey of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-propan-2-ylquinoline-4-carboxylate?
The InChIKey is FSUVSLGOZIFDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-10(2)15-8-13(12-6-4-5-7-14(12)18-15)17(21)22-9-16-20-19-11(3)23-16/h4-8,10H,9H2,1-3H3.
What are the key properties of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-propan-2-ylquinoline-4-carboxylate?
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-propan-2-ylquinoline-4-carboxylate has a molecular weight of 311.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-propan-2-ylquinoline-4-carboxylate is sourced from PubChem (CID 18199717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).