(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)azanium

C17H19N2O2+ — CID 7447347

IUPAC(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)azanium
SMILESCc1ccc2cc(C[NH2+]Cc3ccco3)c(=O)[nH]c2c1C
InChIInChI=1S/C17H18N2O2/c1-11-5-6-13-8-14(17(20)19-16(13)12(11)2)9-18-10-15-4-3-7-21-15/h3-8,18H,9-10H2,1-2H3,(H,19,20)/p+1
InChIKeyHOOLMZZMZATFNM-UHFFFAOYSA-O
MW283.35 g/mol
LogP2.00
Rot. Bonds4

About (7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)azanium

(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)azanium (PubChem CID 7447347) has the molecular formula C17H19N2O2+ and a molecular weight of 283.35 g/mol. Its IUPAC name is (7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)azanium.

Molecular Properties

Compound Name(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)azanium
PubChem CID7447347
Molecular FormulaC17H19N2O2+
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)azanium
SMILESCc1ccc2cc(C[NH2+]Cc3ccco3)c(=O)[nH]c2c1C
InChIInChI=1S/C17H18N2O2/c1-11-5-6-13-8-14(17(20)19-16(13)12(11)2)9-18-10-15-4-3-7-21-15/h3-8,18H,9-10H2,1-2H3,(H,19,20)/p+1
InChIKeyHOOLMZZMZATFNM-UHFFFAOYSA-O
XLogP2.00
TPSA62.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)azanium?
The IUPAC name of (7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)azanium (CID 7447347) is (7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)azanium.
What is the SMILES notation for (7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)azanium?
The canonical SMILES for (7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)azanium is Cc1ccc2cc(C[NH2+]Cc3ccco3)c(=O)[nH]c2c1C.
What is the InChIKey of (7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)azanium?
The InChIKey is HOOLMZZMZATFNM-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H18N2O2/c1-11-5-6-13-8-14(17(20)19-16(13)12(11)2)9-18-10-15-4-3-7-21-15/h3-8,18H,9-10H2,1-2H3,(H,19,20)/p+1.
What are the key properties of (7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)azanium?
(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)azanium has a molecular weight of 283.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)azanium is sourced from PubChem (CID 7447347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).