(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl-propan-2-ylazanium chloride

C14H21ClN2O — CID 165145531

IUPAC(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl-propan-2-ylazanium chloride
SMILESCC(C)[NH2+]CC1CC(=O)N(C)c2ccccc21.[Cl-]
InChIInChI=1S/C14H20N2O.ClH/c1-10(2)15-9-11-8-14(17)16(3)13-7-5-4-6-12(11)13;/h4-7,10-11,15H,8-9H2,1-3H3;1H
InChIKeyBXGCLINRAISSNF-UHFFFAOYSA-N
MW268.79 g/mol
LogP-1.89
Rot. Bonds3

About (1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl-propan-2-ylazanium chloride

(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl-propan-2-ylazanium chloride (PubChem CID 165145531) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is (1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl-propan-2-ylazanium chloride.

Molecular Properties

Compound Name(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl-propan-2-ylazanium chloride
PubChem CID165145531
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl-propan-2-ylazanium chloride
SMILESCC(C)[NH2+]CC1CC(=O)N(C)c2ccccc21.[Cl-]
InChIInChI=1S/C14H20N2O.ClH/c1-10(2)15-9-11-8-14(17)16(3)13-7-5-4-6-12(11)13;/h4-7,10-11,15H,8-9H2,1-3H3;1H
InChIKeyBXGCLINRAISSNF-UHFFFAOYSA-N
XLogP-1.89
TPSA36.92 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 5-1.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl-propan-2-ylazanium chloride?
The IUPAC name of (1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl-propan-2-ylazanium chloride (CID 165145531) is (1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl-propan-2-ylazanium chloride.
What is the SMILES notation for (1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl-propan-2-ylazanium chloride?
The canonical SMILES for (1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl-propan-2-ylazanium chloride is CC(C)[NH2+]CC1CC(=O)N(C)c2ccccc21.[Cl-].
What is the InChIKey of (1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl-propan-2-ylazanium chloride?
The InChIKey is BXGCLINRAISSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-10(2)15-9-11-8-14(17)16(3)13-7-5-4-6-12(11)13;/h4-7,10-11,15H,8-9H2,1-3H3;1H.
What are the key properties of (1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl-propan-2-ylazanium chloride?
(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl-propan-2-ylazanium chloride has a molecular weight of 268.79 g/mol, XLogP of -1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl-propan-2-ylazanium chloride is sourced from PubChem (CID 165145531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).