2-cyclopropyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide

C18H18N4O2 — CID 119062230

IUPAC2-cyclopropyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide
SMILESCc1nonc1CN(C)C(=O)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C18H18N4O2/c1-11-17(21-24-20-11)10-22(2)18(23)14-9-16(12-7-8-12)19-15-6-4-3-5-13(14)15/h3-6,9,12H,7-8,10H2,1-2H3
InChIKeyGBDKCKAFBCMBGU-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.08
Rot. Bonds4

About 2-cyclopropyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide

2-cyclopropyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide (PubChem CID 119062230) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-cyclopropyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide
PubChem CID119062230
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-cyclopropyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide
SMILESCc1nonc1CN(C)C(=O)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C18H18N4O2/c1-11-17(21-24-20-11)10-22(2)18(23)14-9-16(12-7-8-12)19-15-6-4-3-5-13(14)15/h3-6,9,12H,7-8,10H2,1-2H3
InChIKeyGBDKCKAFBCMBGU-UHFFFAOYSA-N
XLogP3.08
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide (CID 119062230) is 2-cyclopropyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide is Cc1nonc1CN(C)C(=O)c1cc(C2CC2)nc2ccccc12.
What is the InChIKey of 2-cyclopropyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide?
The InChIKey is GBDKCKAFBCMBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11-17(21-24-20-11)10-22(2)18(23)14-9-16(12-7-8-12)19-15-6-4-3-5-13(14)15/h3-6,9,12H,7-8,10H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide?
2-cyclopropyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 119062230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).