3-[1-(3-aminopropyl)imidazol-2-yl]-7-methoxy-1H-quinolin-2-one;dihydrochloride

C16H20Cl2N4O2 — CID 154922122

IUPAC3-[1-(3-aminopropyl)imidazol-2-yl]-7-methoxy-1H-quinolin-2-one;dihydrochloride
SMILESCOc1ccc2cc(-c3nccn3CCCN)c(=O)[nH]c2c1.Cl.Cl
InChIInChI=1S/C16H18N4O2.2ClH/c1-22-12-4-3-11-9-13(16(21)19-14(11)10-12)15-18-6-8-20(15)7-2-5-17;;/h3-4,6,8-10H,2,5,7,17H2,1H3,(H,19,21);2*1H
InChIKeyLDKKNPVNBLWIMU-UHFFFAOYSA-N
MW371.27 g/mol
LogP2.59
Rot. Bonds5

About 3-[1-(3-aminopropyl)imidazol-2-yl]-7-methoxy-1H-quinolin-2-one;dihydrochloride

3-[1-(3-aminopropyl)imidazol-2-yl]-7-methoxy-1H-quinolin-2-one;dihydrochloride (PubChem CID 154922122) has the molecular formula C16H20Cl2N4O2 and a molecular weight of 371.27 g/mol. Its IUPAC name is 3-[1-(3-aminopropyl)imidazol-2-yl]-7-methoxy-1H-quinolin-2-one;dihydrochloride.

Molecular Properties

Compound Name3-[1-(3-aminopropyl)imidazol-2-yl]-7-methoxy-1H-quinolin-2-one;dihydrochloride
PubChem CID154922122
Molecular FormulaC16H20Cl2N4O2
Molecular Weight371.27 g/mol
Exact Mass370.10
IUPAC Name3-[1-(3-aminopropyl)imidazol-2-yl]-7-methoxy-1H-quinolin-2-one;dihydrochloride
SMILESCOc1ccc2cc(-c3nccn3CCCN)c(=O)[nH]c2c1.Cl.Cl
InChIInChI=1S/C16H18N4O2.2ClH/c1-22-12-4-3-11-9-13(16(21)19-14(11)10-12)15-18-6-8-20(15)7-2-5-17;;/h3-4,6,8-10H,2,5,7,17H2,1H3,(H,19,21);2*1H
InChIKeyLDKKNPVNBLWIMU-UHFFFAOYSA-N
XLogP2.59
TPSA85.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.27
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]-7-methoxy-1H-quinolin-2-one;formic acid
CID 154923830
2-(2-fluoro-5-methoxyphenyl)-1-(3-imidazol-1-ylpropyl)imidazole
CID 56760532
3-[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]-8-methyl-1H-quinolin-2-one
CID 146045413
6-methoxy-3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-1H-quinolin-2-one
CID 169414438
3-[2-(2-fluorophenyl)imidazol-1-yl]propan-1-amine
CID 82559058
3-(2-methoxyimidazol-1-yl)propan-1-amine
CID 82416306
3-(2-aminobutyl)-7-methoxy-1H-quinolin-2-one;hydrochloride
CID 170889697
7-methoxy-3-[5-methyl-3-[2-(1H-pyrrol-2-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-2-one
CID 158658096
5-(1-butylimidazol-2-yl)-3-methyl-1H-pyridazin-6-one
CID 102485325
1-ethyl-2-(6-methoxy-1-benzofuran-2-yl)imidazole;hydrochloride
CID 3073611
3-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-7-methoxy-1H-quinolin-2-one
CID 1433253
4-[2-(2,4-dichlorophenyl)imidazol-1-yl]butan-1-amine
CID 82559638

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-aminopropyl)imidazol-2-yl]-7-methoxy-1H-quinolin-2-one;dihydrochloride?
The IUPAC name of 3-[1-(3-aminopropyl)imidazol-2-yl]-7-methoxy-1H-quinolin-2-one;dihydrochloride (CID 154922122) is 3-[1-(3-aminopropyl)imidazol-2-yl]-7-methoxy-1H-quinolin-2-one;dihydrochloride.
What is the SMILES notation for 3-[1-(3-aminopropyl)imidazol-2-yl]-7-methoxy-1H-quinolin-2-one;dihydrochloride?
The canonical SMILES for 3-[1-(3-aminopropyl)imidazol-2-yl]-7-methoxy-1H-quinolin-2-one;dihydrochloride is COc1ccc2cc(-c3nccn3CCCN)c(=O)[nH]c2c1.Cl.Cl.
What is the InChIKey of 3-[1-(3-aminopropyl)imidazol-2-yl]-7-methoxy-1H-quinolin-2-one;dihydrochloride?
The InChIKey is LDKKNPVNBLWIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2.2ClH/c1-22-12-4-3-11-9-13(16(21)19-14(11)10-12)15-18-6-8-20(15)7-2-5-17;;/h3-4,6,8-10H,2,5,7,17H2,1H3,(H,19,21);2*1H.
What are the key properties of 3-[1-(3-aminopropyl)imidazol-2-yl]-7-methoxy-1H-quinolin-2-one;dihydrochloride?
3-[1-(3-aminopropyl)imidazol-2-yl]-7-methoxy-1H-quinolin-2-one;dihydrochloride has a molecular weight of 371.27 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-aminopropyl)imidazol-2-yl]-7-methoxy-1H-quinolin-2-one;dihydrochloride is sourced from PubChem (CID 154922122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).