3-[[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]methyl]-1H-quinolin-2-one

C20H28N2O2 — CID 111440274

IUPAC3-[[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]methyl]-1H-quinolin-2-one
SMILESCC1CC(C)(C)CC(CO)(NCc2cc3ccccc3[nH]c2=O)C1
InChIInChI=1S/C20H28N2O2/c1-14-9-19(2,3)12-20(10-14,13-23)21-11-16-8-15-6-4-5-7-17(15)22-18(16)24/h4-8,14,21,23H,9-13H2,1-3H3,(H,22,24)
InChIKeySMNGPXHRBNDICP-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.19
Rot. Bonds4

About 3-[[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]methyl]-1H-quinolin-2-one

3-[[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]methyl]-1H-quinolin-2-one (PubChem CID 111440274) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-[[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]methyl]-1H-quinolin-2-one
PubChem CID111440274
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name3-[[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]methyl]-1H-quinolin-2-one
SMILESCC1CC(C)(C)CC(CO)(NCc2cc3ccccc3[nH]c2=O)C1
InChIInChI=1S/C20H28N2O2/c1-14-9-19(2,3)12-20(10-14,13-23)21-11-16-8-15-6-4-5-7-17(15)22-18(16)24/h4-8,14,21,23H,9-13H2,1-3H3,(H,22,24)
InChIKeySMNGPXHRBNDICP-UHFFFAOYSA-N
XLogP3.19
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1H-quinolin-2-one
CID 79358473
3-[(2-cyclopropylpropan-2-ylamino)methyl]-1H-quinolin-2-one
CID 103700259
3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one
CID 93081788
3-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one
CID 28715980
3-[(phenylmethoxyamino)methyl]-1H-quinolin-2-one
CID 82712733
3-[[(2-ethylcyclopropyl)amino]methyl]-1H-quinolin-2-one
CID 103680519
3-[[(2-hydroxy-2-phenylpropyl)amino]methyl]-1H-quinolin-2-one
CID 111434717
1-[(2-oxo-1H-quinolin-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 140567613
3-[(2-hydroxyanilino)methyl]-1H-quinolin-2-one
CID 46950057
3-[(3-methylbut-2-enylamino)methyl]-1H-quinolin-2-one
CID 103527928
[1-(2-fluoroanilino)-3,3,5-trimethylcyclohexyl]methanol
CID 61049933
(2S)-4-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]pentanoic acid
CID 120510789

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]methyl]-1H-quinolin-2-one (CID 111440274) is 3-[[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]methyl]-1H-quinolin-2-one is CC1CC(C)(C)CC(CO)(NCc2cc3ccccc3[nH]c2=O)C1.
What is the InChIKey of 3-[[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is SMNGPXHRBNDICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-14-9-19(2,3)12-20(10-14,13-23)21-11-16-8-15-6-4-5-7-17(15)22-18(16)24/h4-8,14,21,23H,9-13H2,1-3H3,(H,22,24).
What are the key properties of 3-[[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]methyl]-1H-quinolin-2-one?
3-[[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 328.46 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 111440274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).