8-(cyclohexen-1-yl)-N-(1,3-oxazol-2-ylmethyl)quinoline-3-carboxamide

C20H19N3O2 — CID 169199677

IUPAC8-(cyclohexen-1-yl)-N-(1,3-oxazol-2-ylmethyl)quinoline-3-carboxamide
SMILESO=C(NCc1ncco1)c1cnc2c(C3=CCCCC3)cccc2c1
InChIInChI=1S/C20H19N3O2/c24-20(23-13-18-21-9-10-25-18)16-11-15-7-4-8-17(19(15)22-12-16)14-5-2-1-3-6-14/h4-5,7-12H,1-3,6,13H2,(H,23,24)
InChIKeyACFLXHSGJISFFL-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.11
Rot. Bonds4

About 8-(cyclohexen-1-yl)-N-(1,3-oxazol-2-ylmethyl)quinoline-3-carboxamide

8-(cyclohexen-1-yl)-N-(1,3-oxazol-2-ylmethyl)quinoline-3-carboxamide (PubChem CID 169199677) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 8-(cyclohexen-1-yl)-N-(1,3-oxazol-2-ylmethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name8-(cyclohexen-1-yl)-N-(1,3-oxazol-2-ylmethyl)quinoline-3-carboxamide
PubChem CID169199677
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name8-(cyclohexen-1-yl)-N-(1,3-oxazol-2-ylmethyl)quinoline-3-carboxamide
SMILESO=C(NCc1ncco1)c1cnc2c(C3=CCCCC3)cccc2c1
InChIInChI=1S/C20H19N3O2/c24-20(23-13-18-21-9-10-25-18)16-11-15-7-4-8-17(19(15)22-12-16)14-5-2-1-3-6-14/h4-5,7-12H,1-3,6,13H2,(H,23,24)
InChIKeyACFLXHSGJISFFL-UHFFFAOYSA-N
XLogP4.11
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclohexen-1-yl)-N-(1,3-oxazol-2-ylmethyl)quinoline-3-carboxamide?
The IUPAC name of 8-(cyclohexen-1-yl)-N-(1,3-oxazol-2-ylmethyl)quinoline-3-carboxamide (CID 169199677) is 8-(cyclohexen-1-yl)-N-(1,3-oxazol-2-ylmethyl)quinoline-3-carboxamide.
What is the SMILES notation for 8-(cyclohexen-1-yl)-N-(1,3-oxazol-2-ylmethyl)quinoline-3-carboxamide?
The canonical SMILES for 8-(cyclohexen-1-yl)-N-(1,3-oxazol-2-ylmethyl)quinoline-3-carboxamide is O=C(NCc1ncco1)c1cnc2c(C3=CCCCC3)cccc2c1.
What is the InChIKey of 8-(cyclohexen-1-yl)-N-(1,3-oxazol-2-ylmethyl)quinoline-3-carboxamide?
The InChIKey is ACFLXHSGJISFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20(23-13-18-21-9-10-25-18)16-11-15-7-4-8-17(19(15)22-12-16)14-5-2-1-3-6-14/h4-5,7-12H,1-3,6,13H2,(H,23,24).
What are the key properties of 8-(cyclohexen-1-yl)-N-(1,3-oxazol-2-ylmethyl)quinoline-3-carboxamide?
8-(cyclohexen-1-yl)-N-(1,3-oxazol-2-ylmethyl)quinoline-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclohexen-1-yl)-N-(1,3-oxazol-2-ylmethyl)quinoline-3-carboxamide is sourced from PubChem (CID 169199677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).