N-(cyclohexylmethyl)-N-cyclopropyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

C20H26N2O3 — CID 71938311

IUPACN-(cyclohexylmethyl)-N-cyclopropyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1CCCc2[nH]c(=O)c(C(=O)N(CC3CCCCC3)C3CC3)cc21
InChIInChI=1S/C20H26N2O3/c23-18-8-4-7-17-15(18)11-16(19(24)21-17)20(25)22(14-9-10-14)12-13-5-2-1-3-6-13/h11,13-14H,1-10,12H2,(H,21,24)
InChIKeyYRMIFRRWRQQGLB-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.08
Rot. Bonds4

About N-(cyclohexylmethyl)-N-cyclopropyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

N-(cyclohexylmethyl)-N-cyclopropyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 71938311) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-cyclopropyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-cyclopropyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID71938311
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-(cyclohexylmethyl)-N-cyclopropyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1CCCc2[nH]c(=O)c(C(=O)N(CC3CCCCC3)C3CC3)cc21
InChIInChI=1S/C20H26N2O3/c23-18-8-4-7-17-15(18)11-16(19(24)21-17)20(25)22(14-9-10-14)12-13-5-2-1-3-6-13/h11,13-14H,1-10,12H2,(H,21,24)
InChIKeyYRMIFRRWRQQGLB-UHFFFAOYSA-N
XLogP3.08
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-cyclopropyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-N-cyclopropyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 71938311) is N-(cyclohexylmethyl)-N-cyclopropyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-cyclopropyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-cyclopropyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is O=C1CCCc2[nH]c(=O)c(C(=O)N(CC3CCCCC3)C3CC3)cc21.
What is the InChIKey of N-(cyclohexylmethyl)-N-cyclopropyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is YRMIFRRWRQQGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c23-18-8-4-7-17-15(18)11-16(19(24)21-17)20(25)22(14-9-10-14)12-13-5-2-1-3-6-13/h11,13-14H,1-10,12H2,(H,21,24).
What are the key properties of N-(cyclohexylmethyl)-N-cyclopropyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
N-(cyclohexylmethyl)-N-cyclopropyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-cyclopropyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 71938311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).