N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide

C20H27N3O2 — CID 47078205

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
SMILESCN(C)C1(CNC(=O)Cc2cc3ccccc3[nH]c2=O)CCCCC1
InChIInChI=1S/C20H27N3O2/c1-23(2)20(10-6-3-7-11-20)14-21-18(24)13-16-12-15-8-4-5-9-17(15)22-19(16)25/h4-5,8-9,12H,3,6-7,10-11,13-14H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyWVDAPQJRAJDOKQ-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.45
Rot. Bonds5

About N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide

N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide (PubChem CID 47078205) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
PubChem CID47078205
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
SMILESCN(C)C1(CNC(=O)Cc2cc3ccccc3[nH]c2=O)CCCCC1
InChIInChI=1S/C20H27N3O2/c1-23(2)20(10-6-3-7-11-20)14-21-18(24)13-16-12-15-8-4-5-9-17(15)22-19(16)25/h4-5,8-9,12H,3,6-7,10-11,13-14H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyWVDAPQJRAJDOKQ-UHFFFAOYSA-N
XLogP2.45
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110616680
N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 167843782
tert-butyl N-[2-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]ethyl]carbamate
CID 71936523
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 53174634
N-(1-naphthalen-2-ylethyl)-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 51115860
2-(4-chlorophenyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride
CID 20995022
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 16559242
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 166307323
2-(2-oxo-1H-quinolin-3-yl)-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]acetamide
CID 166340165
N-[4-[[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]methyl]phenyl]butanamide
CID 60515860
N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 942796
N-cyclohexyl-N-cyclopropyl-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 56820333

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide (CID 47078205) is N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide is CN(C)C1(CNC(=O)Cc2cc3ccccc3[nH]c2=O)CCCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide?
The InChIKey is WVDAPQJRAJDOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-23(2)20(10-6-3-7-11-20)14-21-18(24)13-16-12-15-8-4-5-9-17(15)22-19(16)25/h4-5,8-9,12H,3,6-7,10-11,13-14H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide?
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide has a molecular weight of 341.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide is sourced from PubChem (CID 47078205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).