(3-methyl-1,2,4-oxadiazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate

C16H15N3O4 — CID 18147585

IUPAC(3-methyl-1,2,4-oxadiazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate
SMILESCOc1ccc2cc(C(=O)OCc3nc(C)no3)c(C)nc2c1
InChIInChI=1S/C16H15N3O4/c1-9-13(16(20)22-8-15-18-10(2)19-23-15)6-11-4-5-12(21-3)7-14(11)17-9/h4-7H,8H2,1-3H3
InChIKeyACKXFQPGBVPZGP-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.60
Rot. Bonds4

About (3-methyl-1,2,4-oxadiazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate

(3-methyl-1,2,4-oxadiazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate (PubChem CID 18147585) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is (3-methyl-1,2,4-oxadiazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate.

Molecular Properties

Compound Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate
PubChem CID18147585
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate
SMILESCOc1ccc2cc(C(=O)OCc3nc(C)no3)c(C)nc2c1
InChIInChI=1S/C16H15N3O4/c1-9-13(16(20)22-8-15-18-10(2)19-23-15)6-11-4-5-12(21-3)7-14(11)17-9/h4-7H,8H2,1-3H3
InChIKeyACKXFQPGBVPZGP-UHFFFAOYSA-N
XLogP2.60
TPSA87.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

pyridin-2-ylmethyl 7-methoxy-2-methylquinoline-3-carboxylate
CID 18139891
[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 7-fluoro-2-methylquinoline-3-carboxylate
CID 36757641
N-ethoxy-7-methoxy-2-methylquinoline-3-carboxamide
CID 18169112
(1-butyltetrazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate
CID 18123694
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-hydroxy-4-methylbenzoate
CID 31047257
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate
CID 55473337
N-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78854787
[2-[2-(4-bromophenoxy)ethyl-methylamino]-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate
CID 16576188
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-fluoro-4-methoxybenzoate
CID 8509452
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2,5-dimethylbenzoate
CID 29350373
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate
CID 55479089
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-amino-5-chloro-2-methoxybenzoate
CID 18147366

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate?
The IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate (CID 18147585) is (3-methyl-1,2,4-oxadiazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate.
What is the SMILES notation for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate?
The canonical SMILES for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate is COc1ccc2cc(C(=O)OCc3nc(C)no3)c(C)nc2c1.
What is the InChIKey of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate?
The InChIKey is ACKXFQPGBVPZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-9-13(16(20)22-8-15-18-10(2)19-23-15)6-11-4-5-12(21-3)7-14(11)17-9/h4-7H,8H2,1-3H3.
What are the key properties of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate?
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate has a molecular weight of 313.31 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate is sourced from PubChem (CID 18147585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).