7-chloro-3-[1-(morpholin-2-ylmethyl)imidazol-2-yl]-1H-quinolin-2-one;dihydrochloride

C17H19Cl3N4O2 — CID 154922445

IUPAC7-chloro-3-[1-(morpholin-2-ylmethyl)imidazol-2-yl]-1H-quinolin-2-one;dihydrochloride
SMILESCl.Cl.O=c1[nH]c2cc(Cl)ccc2cc1-c1nccn1CC1CNCCO1
InChIInChI=1S/C17H17ClN4O2.2ClH/c18-12-2-1-11-7-14(17(23)21-15(11)8-12)16-20-3-5-22(16)10-13-9-19-4-6-24-13;;/h1-3,5,7-8,13,19H,4,6,9-10H2,(H,21,23);2*1H
InChIKeyNCGPTXIBSDJPJA-UHFFFAOYSA-N
MW417.72 g/mol
LogP2.88
Rot. Bonds3

About 7-chloro-3-[1-(morpholin-2-ylmethyl)imidazol-2-yl]-1H-quinolin-2-one;dihydrochloride

7-chloro-3-[1-(morpholin-2-ylmethyl)imidazol-2-yl]-1H-quinolin-2-one;dihydrochloride (PubChem CID 154922445) has the molecular formula C17H19Cl3N4O2 and a molecular weight of 417.72 g/mol. Its IUPAC name is 7-chloro-3-[1-(morpholin-2-ylmethyl)imidazol-2-yl]-1H-quinolin-2-one;dihydrochloride.

Molecular Properties

Compound Name7-chloro-3-[1-(morpholin-2-ylmethyl)imidazol-2-yl]-1H-quinolin-2-one;dihydrochloride
PubChem CID154922445
Molecular FormulaC17H19Cl3N4O2
Molecular Weight417.72 g/mol
Exact Mass416.06
IUPAC Name7-chloro-3-[1-(morpholin-2-ylmethyl)imidazol-2-yl]-1H-quinolin-2-one;dihydrochloride
SMILESCl.Cl.O=c1[nH]c2cc(Cl)ccc2cc1-c1nccn1CC1CNCCO1
InChIInChI=1S/C17H17ClN4O2.2ClH/c18-12-2-1-11-7-14(17(23)21-15(11)8-12)16-20-3-5-22(16)10-13-9-19-4-6-24-13;;/h1-3,5,7-8,13,19H,4,6,9-10H2,(H,21,23);2*1H
InChIKeyNCGPTXIBSDJPJA-UHFFFAOYSA-N
XLogP2.88
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.72
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-chloro-3-[1-(morpholin-2-ylmethyl)imidazol-2-yl]-1H-quinolin-2-one;dihydrochloride with MolForge

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Related Compounds

3-[1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]imidazol-2-yl]-1H-quinolin-2-one
CID 95444884
2-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]morpholine;hydrochloride
CID 154922035
3-[1-[(3S,4S)-3-hydroxypiperidin-4-yl]imidazol-2-yl]-7-methyl-1H-quinolin-2-one;dihydrochloride
CID 154923451
3-[1-(3-aminopropyl)imidazol-2-yl]-7-methoxy-1H-quinolin-2-one;dihydrochloride
CID 154922122
2-[[5-(1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]morpholine;dihydrochloride
CID 154890014
1-methyl-3-(morpholin-2-ylmethyl)imidazol-2-one
CID 80580840
2-[[(2S)-morpholin-2-yl]methyl]isoindole-1,3-dione
CID 6932395
2-(morpholin-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 115324338
6-chloro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indol-2-amine;hydrochloride
CID 141253343
2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]morpholine
CID 178046873
2-[(4-chloropyrazol-1-yl)methyl]morpholine
CID 64535065
4-methyl-2-[[2-(2-methylphenyl)imidazol-1-yl]methyl]morpholine
CID 154821341

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[1-(morpholin-2-ylmethyl)imidazol-2-yl]-1H-quinolin-2-one;dihydrochloride?
The IUPAC name of 7-chloro-3-[1-(morpholin-2-ylmethyl)imidazol-2-yl]-1H-quinolin-2-one;dihydrochloride (CID 154922445) is 7-chloro-3-[1-(morpholin-2-ylmethyl)imidazol-2-yl]-1H-quinolin-2-one;dihydrochloride.
What is the SMILES notation for 7-chloro-3-[1-(morpholin-2-ylmethyl)imidazol-2-yl]-1H-quinolin-2-one;dihydrochloride?
The canonical SMILES for 7-chloro-3-[1-(morpholin-2-ylmethyl)imidazol-2-yl]-1H-quinolin-2-one;dihydrochloride is Cl.Cl.O=c1[nH]c2cc(Cl)ccc2cc1-c1nccn1CC1CNCCO1.
What is the InChIKey of 7-chloro-3-[1-(morpholin-2-ylmethyl)imidazol-2-yl]-1H-quinolin-2-one;dihydrochloride?
The InChIKey is NCGPTXIBSDJPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2.2ClH/c18-12-2-1-11-7-14(17(23)21-15(11)8-12)16-20-3-5-22(16)10-13-9-19-4-6-24-13;;/h1-3,5,7-8,13,19H,4,6,9-10H2,(H,21,23);2*1H.
What are the key properties of 7-chloro-3-[1-(morpholin-2-ylmethyl)imidazol-2-yl]-1H-quinolin-2-one;dihydrochloride?
7-chloro-3-[1-(morpholin-2-ylmethyl)imidazol-2-yl]-1H-quinolin-2-one;dihydrochloride has a molecular weight of 417.72 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[1-(morpholin-2-ylmethyl)imidazol-2-yl]-1H-quinolin-2-one;dihydrochloride is sourced from PubChem (CID 154922445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).