methyl-[(2-oxo-1H-quinolin-4-yl)methyl]azanium

C11H13N2O+ — CID 7061139

IUPACmethyl-[(2-oxo-1H-quinolin-4-yl)methyl]azanium
SMILESC[NH2+]Cc1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C11H12N2O/c1-12-7-8-6-11(14)13-10-5-3-2-4-9(8)10/h2-6,12H,7H2,1H3,(H,13,14)/p+1
InChIKeyOWJYWDRFQHCJEO-UHFFFAOYSA-O
MW189.24 g/mol
LogP0.22
Rot. Bonds2

About methyl-[(2-oxo-1H-quinolin-4-yl)methyl]azanium

methyl-[(2-oxo-1H-quinolin-4-yl)methyl]azanium (PubChem CID 7061139) has the molecular formula C11H13N2O+ and a molecular weight of 189.24 g/mol. Its IUPAC name is methyl-[(2-oxo-1H-quinolin-4-yl)methyl]azanium.

Molecular Properties

Compound Namemethyl-[(2-oxo-1H-quinolin-4-yl)methyl]azanium
PubChem CID7061139
Molecular FormulaC11H13N2O+
Molecular Weight189.24 g/mol
Exact Mass189.10
IUPAC Namemethyl-[(2-oxo-1H-quinolin-4-yl)methyl]azanium
SMILESC[NH2+]Cc1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C11H12N2O/c1-12-7-8-6-11(14)13-10-5-3-2-4-9(8)10/h2-6,12H,7H2,1H3,(H,13,14)/p+1
InChIKeyOWJYWDRFQHCJEO-UHFFFAOYSA-O
XLogP0.22
TPSA49.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-(methylsulfanylmethyl)-1H-quinolin-2-one
CID 15269617
4-(aminomethyl)-1H-quinolin-2-one;hydrochloride
CID 54595267
4-prop-2-enyl-1H-quinolin-2-one
CID 66696786
4-[(butan-2-ylamino)methyl]-1H-quinolin-2-one
CID 63553516
4-(aminomethyl)-1H-quinolin-2-one;azane;4-(bromomethyl)-1H-quinolin-2-one
CID 159957961
N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylacetamide
CID 664652
N-methylmethanamine;4-methyl-1H-quinolin-2-one
CID 143468896
ethane;4-methyl-1H-quinolin-2-one;molecular hydrogen
CID 142225291
4-(3-cyclopropylpropyl)-1H-quinolin-2-one
CID 123202652
4-[(2-methoxyphenyl)sulfanylmethyl]-1H-quinolin-2-one
CID 6324316
2-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 166383305
4-[(cyclopropylmethylamino)methyl]-1H-quinolin-2-one
CID 55222341

Frequently Asked Questions

What is the IUPAC name of methyl-[(2-oxo-1H-quinolin-4-yl)methyl]azanium?
The IUPAC name of methyl-[(2-oxo-1H-quinolin-4-yl)methyl]azanium (CID 7061139) is methyl-[(2-oxo-1H-quinolin-4-yl)methyl]azanium.
What is the SMILES notation for methyl-[(2-oxo-1H-quinolin-4-yl)methyl]azanium?
The canonical SMILES for methyl-[(2-oxo-1H-quinolin-4-yl)methyl]azanium is C[NH2+]Cc1cc(=O)[nH]c2ccccc12.
What is the InChIKey of methyl-[(2-oxo-1H-quinolin-4-yl)methyl]azanium?
The InChIKey is OWJYWDRFQHCJEO-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H12N2O/c1-12-7-8-6-11(14)13-10-5-3-2-4-9(8)10/h2-6,12H,7H2,1H3,(H,13,14)/p+1.
What are the key properties of methyl-[(2-oxo-1H-quinolin-4-yl)methyl]azanium?
methyl-[(2-oxo-1H-quinolin-4-yl)methyl]azanium has a molecular weight of 189.24 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(2-oxo-1H-quinolin-4-yl)methyl]azanium is sourced from PubChem (CID 7061139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).