N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)cyclohexanecarboxamide

C24H32N2O4 — CID 3214319

IUPACN-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)cyclohexanecarboxamide
SMILESCc1cc(C)c2[nH]c(=O)c(CN(CC3COCCO3)C(=O)C3CCCCC3)cc2c1
InChIInChI=1S/C24H32N2O4/c1-16-10-17(2)22-19(11-16)12-20(23(27)25-22)13-26(14-21-15-29-8-9-30-21)24(28)18-6-4-3-5-7-18/h10-12,18,21H,3-9,13-15H2,1-2H3,(H,25,27)
InChIKeyXINSSWJLAUKYMP-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.47
Rot. Bonds5

About N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)cyclohexanecarboxamide

N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)cyclohexanecarboxamide (PubChem CID 3214319) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)cyclohexanecarboxamide
PubChem CID3214319
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC NameN-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)cyclohexanecarboxamide
SMILESCc1cc(C)c2[nH]c(=O)c(CN(CC3COCCO3)C(=O)C3CCCCC3)cc2c1
InChIInChI=1S/C24H32N2O4/c1-16-10-17(2)22-19(11-16)12-20(23(27)25-22)13-26(14-21-15-29-8-9-30-21)24(28)18-6-4-3-5-7-18/h10-12,18,21H,3-9,13-15H2,1-2H3,(H,25,27)
InChIKeyXINSSWJLAUKYMP-UHFFFAOYSA-N
XLogP3.47
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)cyclohexanecarboxamide with MolForge

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Related Compounds

N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)cyclohexanecarboxamide
CID 3193976
1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(1,4-dioxan-2-ylmethyl)-3-phenylurea
CID 3214314
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)oxolane-2-carboxamide
CID 650124
1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methylphenyl)-1-(oxolan-2-ylmethyl)thiourea
CID 3170840
N-cyclopentyl-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 856997
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1453773
N-(1,4-dioxan-2-ylmethyl)-4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3214370
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 23885556
3-cyclohexyl-1-[3-(dimethylamino)propyl]-1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 3185809
1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 7108460
1-[2-(dimethylamino)ethyl]-1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(oxolan-2-ylmethyl)thiourea
CID 3172521
3-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 1133934

Frequently Asked Questions

What is the IUPAC name of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)cyclohexanecarboxamide?
The IUPAC name of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)cyclohexanecarboxamide (CID 3214319) is N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)cyclohexanecarboxamide?
The canonical SMILES for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)cyclohexanecarboxamide is Cc1cc(C)c2[nH]c(=O)c(CN(CC3COCCO3)C(=O)C3CCCCC3)cc2c1.
What is the InChIKey of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)cyclohexanecarboxamide?
The InChIKey is XINSSWJLAUKYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-16-10-17(2)22-19(11-16)12-20(23(27)25-22)13-26(14-21-15-29-8-9-30-21)24(28)18-6-4-3-5-7-18/h10-12,18,21H,3-9,13-15H2,1-2H3,(H,25,27).
What are the key properties of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)cyclohexanecarboxamide?
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)cyclohexanecarboxamide has a molecular weight of 412.53 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)cyclohexanecarboxamide is sourced from PubChem (CID 3214319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).