N-cyclohexyl-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide

C23H26N2O4 — CID 23876755

IUPACN-cyclohexyl-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESCOc1ccc(-n2c3c(cc(C(=O)NC4CCCCC4)c2=O)C(=O)CCC3)cc1
InChIInChI=1S/C23H26N2O4/c1-29-17-12-10-16(11-13-17)25-20-8-5-9-21(26)18(20)14-19(23(25)28)22(27)24-15-6-3-2-4-7-15/h10-15H,2-9H2,1H3,(H,24,27)
InChIKeyQCOFMVZCALXTSL-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.43
Rot. Bonds4

About N-cyclohexyl-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide

N-cyclohexyl-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide (PubChem CID 23876755) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-cyclohexyl-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
PubChem CID23876755
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-cyclohexyl-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESCOc1ccc(-n2c3c(cc(C(=O)NC4CCCCC4)c2=O)C(=O)CCC3)cc1
InChIInChI=1S/C23H26N2O4/c1-29-17-12-10-16(11-13-17)25-20-8-5-9-21(26)18(20)14-19(23(25)28)22(27)24-15-6-3-2-4-7-15/h10-15H,2-9H2,1H3,(H,24,27)
InChIKeyQCOFMVZCALXTSL-UHFFFAOYSA-N
XLogP3.43
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide (CID 23876755) is N-cyclohexyl-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide is COc1ccc(-n2c3c(cc(C(=O)NC4CCCCC4)c2=O)C(=O)CCC3)cc1.
What is the InChIKey of N-cyclohexyl-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
The InChIKey is QCOFMVZCALXTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-29-17-12-10-16(11-13-17)25-20-8-5-9-21(26)18(20)14-19(23(25)28)22(27)24-15-6-3-2-4-7-15/h10-15H,2-9H2,1H3,(H,24,27).
What are the key properties of N-cyclohexyl-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
N-cyclohexyl-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide is sourced from PubChem (CID 23876755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).