N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

C24H29N3O3 — CID 39977206

IUPACN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCN(Cc1ccccc1NC(=O)c1cc2c([nH]c1=O)CCCC2=O)C1CCCCC1
InChIInChI=1S/C24H29N3O3/c1-27(17-9-3-2-4-10-17)15-16-8-5-6-11-20(16)25-23(29)19-14-18-21(26-24(19)30)12-7-13-22(18)28/h5-6,8,11,14,17H,2-4,7,9-10,12-13,15H2,1H3,(H,25,29)(H,26,30)
InChIKeyUHKICWFUYYGYOL-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.91
Rot. Bonds5

About N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 39977206) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID39977206
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCN(Cc1ccccc1NC(=O)c1cc2c([nH]c1=O)CCCC2=O)C1CCCCC1
InChIInChI=1S/C24H29N3O3/c1-27(17-9-3-2-4-10-17)15-16-8-5-6-11-20(16)25-23(29)19-14-18-21(26-24(19)30)12-7-13-22(18)28/h5-6,8,11,14,17H,2-4,7,9-10,12-13,15H2,1H3,(H,25,29)(H,26,30)
InChIKeyUHKICWFUYYGYOL-UHFFFAOYSA-N
XLogP3.91
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide with MolForge

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Related Compounds

N-naphthalen-1-yl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 56923268
N-(2-bromophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495526
N-(2,3-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 33330216
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 66675128
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112822635
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 71943341
N-(2,4-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36704964
2,5-dioxo-N-(2-prop-2-enylsulfanylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 33331086
(7S)-N-(2-ethylphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95073815
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethylbenzamide
CID 18158678
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]furan-3-carboxamide
CID 46554715
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-methylsulfinylbenzamide
CID 55552886

Frequently Asked Questions

What is the IUPAC name of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 39977206) is N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is CN(Cc1ccccc1NC(=O)c1cc2c([nH]c1=O)CCCC2=O)C1CCCCC1.
What is the InChIKey of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is UHKICWFUYYGYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-27(17-9-3-2-4-10-17)15-16-8-5-6-11-20(16)25-23(29)19-14-18-21(26-24(19)30)12-7-13-22(18)28/h5-6,8,11,14,17H,2-4,7,9-10,12-13,15H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 39977206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).