2-(furan-2-yl)-N-(4-methoxyphenyl)-3H-imidazo[4,5-f]quinolin-9-amine;hydrate;hydrochloride

C21H19ClN4O3 — CID 70435470

IUPAC2-(furan-2-yl)-N-(4-methoxyphenyl)-3H-imidazo[4,5-f]quinolin-9-amine;hydrate;hydrochloride
SMILESCOc1ccc(Nc2ccnc3ccc4[nH]c(-c5ccco5)nc4c23)cc1.Cl.O
InChIInChI=1S/C21H16N4O2.ClH.H2O/c1-26-14-6-4-13(5-7-14)23-16-10-11-22-15-8-9-17-20(19(15)16)25-21(24-17)18-3-2-12-27-18;;/h2-12H,1H3,(H,22,23)(H,24,25);1H;1H2
InChIKeyVRLWQANMWDBWJK-UHFFFAOYSA-N
MW410.86 g/mol
LogP4.72
Rot. Bonds4

About 2-(furan-2-yl)-N-(4-methoxyphenyl)-3H-imidazo[4,5-f]quinolin-9-amine;hydrate;hydrochloride

2-(furan-2-yl)-N-(4-methoxyphenyl)-3H-imidazo[4,5-f]quinolin-9-amine;hydrate;hydrochloride (PubChem CID 70435470) has the molecular formula C21H19ClN4O3 and a molecular weight of 410.86 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(4-methoxyphenyl)-3H-imidazo[4,5-f]quinolin-9-amine;hydrate;hydrochloride.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(4-methoxyphenyl)-3H-imidazo[4,5-f]quinolin-9-amine;hydrate;hydrochloride
PubChem CID70435470
Molecular FormulaC21H19ClN4O3
Molecular Weight410.86 g/mol
Exact Mass410.11
IUPAC Name2-(furan-2-yl)-N-(4-methoxyphenyl)-3H-imidazo[4,5-f]quinolin-9-amine;hydrate;hydrochloride
SMILESCOc1ccc(Nc2ccnc3ccc4[nH]c(-c5ccco5)nc4c23)cc1.Cl.O
InChIInChI=1S/C21H16N4O2.ClH.H2O/c1-26-14-6-4-13(5-7-14)23-16-10-11-22-15-8-9-17-20(19(15)16)25-21(24-17)18-3-2-12-27-18;;/h2-12H,1H3,(H,22,23)(H,24,25);1H;1H2
InChIKeyVRLWQANMWDBWJK-UHFFFAOYSA-N
XLogP4.72
TPSA107.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-(4-methoxyphenyl)-3H-imidazo[4,5-f]quinolin-9-amine;hydrate;hydrochloride?
The IUPAC name of 2-(furan-2-yl)-N-(4-methoxyphenyl)-3H-imidazo[4,5-f]quinolin-9-amine;hydrate;hydrochloride (CID 70435470) is 2-(furan-2-yl)-N-(4-methoxyphenyl)-3H-imidazo[4,5-f]quinolin-9-amine;hydrate;hydrochloride.
What is the SMILES notation for 2-(furan-2-yl)-N-(4-methoxyphenyl)-3H-imidazo[4,5-f]quinolin-9-amine;hydrate;hydrochloride?
The canonical SMILES for 2-(furan-2-yl)-N-(4-methoxyphenyl)-3H-imidazo[4,5-f]quinolin-9-amine;hydrate;hydrochloride is COc1ccc(Nc2ccnc3ccc4[nH]c(-c5ccco5)nc4c23)cc1.Cl.O.
What is the InChIKey of 2-(furan-2-yl)-N-(4-methoxyphenyl)-3H-imidazo[4,5-f]quinolin-9-amine;hydrate;hydrochloride?
The InChIKey is VRLWQANMWDBWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2.ClH.H2O/c1-26-14-6-4-13(5-7-14)23-16-10-11-22-15-8-9-17-20(19(15)16)25-21(24-17)18-3-2-12-27-18;;/h2-12H,1H3,(H,22,23)(H,24,25);1H;1H2.
What are the key properties of 2-(furan-2-yl)-N-(4-methoxyphenyl)-3H-imidazo[4,5-f]quinolin-9-amine;hydrate;hydrochloride?
2-(furan-2-yl)-N-(4-methoxyphenyl)-3H-imidazo[4,5-f]quinolin-9-amine;hydrate;hydrochloride has a molecular weight of 410.86 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-(4-methoxyphenyl)-3H-imidazo[4,5-f]quinolin-9-amine;hydrate;hydrochloride is sourced from PubChem (CID 70435470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).