1-butyl-N-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide

C20H30N2O2 — CID 23587851

IUPAC1-butyl-N-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCCCCn1c2c(cc(C(=O)NC3CCCCC3)c1=O)CCCC2
InChIInChI=1S/C20H30N2O2/c1-2-3-13-22-18-12-8-7-9-15(18)14-17(20(22)24)19(23)21-16-10-5-4-6-11-16/h14,16H,2-13H2,1H3,(H,21,23)
InChIKeyZAZNFIBAGQTWFP-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.59
Rot. Bonds5

About 1-butyl-N-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide

1-butyl-N-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 23587851) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-butyl-N-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID23587851
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-butyl-N-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCCCCn1c2c(cc(C(=O)NC3CCCCC3)c1=O)CCCC2
InChIInChI=1S/C20H30N2O2/c1-2-3-13-22-18-12-8-7-9-15(18)14-17(20(22)24)19(23)21-16-10-5-4-6-11-16/h14,16H,2-13H2,1H3,(H,21,23)
InChIKeyZAZNFIBAGQTWFP-UHFFFAOYSA-N
XLogP3.59
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 1-butyl-N-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide (CID 23587851) is 1-butyl-N-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 1-butyl-N-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 1-butyl-N-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide is CCCCn1c2c(cc(C(=O)NC3CCCCC3)c1=O)CCCC2.
What is the InChIKey of 1-butyl-N-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is ZAZNFIBAGQTWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-2-3-13-22-18-12-8-7-9-15(18)14-17(20(22)24)19(23)21-16-10-5-4-6-11-16/h14,16H,2-13H2,1H3,(H,21,23).
What are the key properties of 1-butyl-N-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide?
1-butyl-N-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 23587851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).