2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-aminohexan-2-yl)acetamide;hydrochloride

C19H28ClN3O2 — CID 119261364

IUPAC2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-aminohexan-2-yl)acetamide;hydrochloride
SMILESCCCCC(CN)NC(=O)CC1c2ccccc2C=CN1C(C)=O.Cl
InChIInChI=1S/C19H27N3O2.ClH/c1-3-4-8-16(13-20)21-19(24)12-18-17-9-6-5-7-15(17)10-11-22(18)14(2)23;/h5-7,9-11,16,18H,3-4,8,12-13,20H2,1-2H3,(H,21,24);1H
InChIKeySIWMJXXEHODIDU-UHFFFAOYSA-N
MW365.91 g/mol
LogP3.01
Rot. Bonds7

About 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-aminohexan-2-yl)acetamide;hydrochloride

2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-aminohexan-2-yl)acetamide;hydrochloride (PubChem CID 119261364) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-aminohexan-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-aminohexan-2-yl)acetamide;hydrochloride
PubChem CID119261364
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-aminohexan-2-yl)acetamide;hydrochloride
SMILESCCCCC(CN)NC(=O)CC1c2ccccc2C=CN1C(C)=O.Cl
InChIInChI=1S/C19H27N3O2.ClH/c1-3-4-8-16(13-20)21-19(24)12-18-17-9-6-5-7-15(17)10-11-22(18)14(2)23;/h5-7,9-11,16,18H,3-4,8,12-13,20H2,1-2H3,(H,21,24);1H
InChIKeySIWMJXXEHODIDU-UHFFFAOYSA-N
XLogP3.01
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-aminohexan-2-yl)acetamide
CID 119261365
2-(2-acetyl-1H-isoquinolin-1-yl)-N-pentan-3-ylacetamide
CID 134044607
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-aminobutyl)acetamide;hydrochloride
CID 119260378
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide
CID 111115927
(2S)-2-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]-3-phenylpropanoic acid
CID 124682868
N'-[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-4-ethoxybenzohydrazide
CID 9086460
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-methylphenyl)acetamide
CID 8872295
5-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]pentanoic acid
CID 119234430
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-acetylpiperidin-4-yl)acetamide
CID 45352268
N-(3-acetamido-2-methylphenyl)-2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetamide
CID 30886465
N'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-1H-pyrrole-2-carbohydrazide
CID 78818003
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1-adamantyl)acetamide
CID 26687467

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-aminohexan-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-aminohexan-2-yl)acetamide;hydrochloride (CID 119261364) is 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-aminohexan-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-aminohexan-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-aminohexan-2-yl)acetamide;hydrochloride is CCCCC(CN)NC(=O)CC1c2ccccc2C=CN1C(C)=O.Cl.
What is the InChIKey of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-aminohexan-2-yl)acetamide;hydrochloride?
The InChIKey is SIWMJXXEHODIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2.ClH/c1-3-4-8-16(13-20)21-19(24)12-18-17-9-6-5-7-15(17)10-11-22(18)14(2)23;/h5-7,9-11,16,18H,3-4,8,12-13,20H2,1-2H3,(H,21,24);1H.
What are the key properties of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-aminohexan-2-yl)acetamide;hydrochloride?
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-aminohexan-2-yl)acetamide;hydrochloride has a molecular weight of 365.91 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-aminohexan-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119261364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).