3-(3-aminoisoquinolin-6-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide

C23H25N3O2 — CID 122565335

IUPAC3-(3-aminoisoquinolin-6-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCCN(CC1CCCO1)C(=O)c1cccc(-c2ccc3cnc(N)cc3c2)c1
InChIInChI=1S/C23H25N3O2/c1-2-26(15-21-7-4-10-28-21)23(27)18-6-3-5-16(11-18)17-8-9-19-14-25-22(24)13-20(19)12-17/h3,5-6,8-9,11-14,21H,2,4,7,10,15H2,1H3,(H2,24,25)
InChIKeyHNYQDKWAIFJIDL-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.13
Rot. Bonds5

About 3-(3-aminoisoquinolin-6-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide

3-(3-aminoisoquinolin-6-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 122565335) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-(3-aminoisoquinolin-6-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(3-aminoisoquinolin-6-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
PubChem CID122565335
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name3-(3-aminoisoquinolin-6-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCCN(CC1CCCO1)C(=O)c1cccc(-c2ccc3cnc(N)cc3c2)c1
InChIInChI=1S/C23H25N3O2/c1-2-26(15-21-7-4-10-28-21)23(27)18-6-3-5-16(11-18)17-8-9-19-14-25-22(24)13-20(19)12-17/h3,5-6,8-9,11-14,21H,2,4,7,10,15H2,1H3,(H2,24,25)
InChIKeyHNYQDKWAIFJIDL-UHFFFAOYSA-N
XLogP4.13
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 55041803
N-ethyl-3-(4-hydroxyphenyl)-N-(oxan-2-ylmethyl)benzamide
CID 46985309
3-(5-aminopyrazin-2-yl)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 126438198
6-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62161209
methyl 3-[4-[ethyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]phenyl]benzoate
CID 126432728
N-ethyl-3-[3-(methylamino)pyrazin-2-yl]-N-[[(2R)-oxan-2-yl]methyl]benzamide
CID 125442918
4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
CID 119060180
N-[2-(dimethylamino)ethyl]-3-(1-ethylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125167209
ethyl N-[3-[ethyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]phenyl]carbamate
CID 94489762
3-(3-aminoprop-1-ynyl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61438969
N-(cyclobutylmethyl)-3-(4,6-dimethylpyrimidin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125168586
7-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 63117988

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoisoquinolin-6-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-(3-aminoisoquinolin-6-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide (CID 122565335) is 3-(3-aminoisoquinolin-6-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(3-aminoisoquinolin-6-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-(3-aminoisoquinolin-6-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide is CCN(CC1CCCO1)C(=O)c1cccc(-c2ccc3cnc(N)cc3c2)c1.
What is the InChIKey of 3-(3-aminoisoquinolin-6-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is HNYQDKWAIFJIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-2-26(15-21-7-4-10-28-21)23(27)18-6-3-5-16(11-18)17-8-9-19-14-25-22(24)13-20(19)12-17/h3,5-6,8-9,11-14,21H,2,4,7,10,15H2,1H3,(H2,24,25).
What are the key properties of 3-(3-aminoisoquinolin-6-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide?
3-(3-aminoisoquinolin-6-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 375.47 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoisoquinolin-6-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 122565335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).