(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-propan-2-ylazanium

C14H19N2O+ — CID 2066167

IUPAC(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-propan-2-ylazanium
SMILESCc1cccc2cc(C[NH2+]C(C)C)c(=O)[nH]c12
InChIInChI=1S/C14H18N2O/c1-9(2)15-8-12-7-11-6-4-5-10(3)13(11)16-14(12)17/h4-7,9,15H,8H2,1-3H3,(H,16,17)/p+1
InChIKeyOLXFNUSQDNBKSQ-UHFFFAOYSA-O
MW231.32 g/mol
LogP1.31
Rot. Bonds3

About (8-methyl-2-oxo-1H-quinolin-3-yl)methyl-propan-2-ylazanium

(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-propan-2-ylazanium (PubChem CID 2066167) has the molecular formula C14H19N2O+ and a molecular weight of 231.32 g/mol. Its IUPAC name is (8-methyl-2-oxo-1H-quinolin-3-yl)methyl-propan-2-ylazanium.

Molecular Properties

Compound Name(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-propan-2-ylazanium
PubChem CID2066167
Molecular FormulaC14H19N2O+
Molecular Weight231.32 g/mol
Exact Mass231.15
IUPAC Name(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-propan-2-ylazanium
SMILESCc1cccc2cc(C[NH2+]C(C)C)c(=O)[nH]c12
InChIInChI=1S/C14H18N2O/c1-9(2)15-8-12-7-11-6-4-5-10(3)13(11)16-14(12)17/h4-7,9,15H,8H2,1-3H3,(H,16,17)/p+1
InChIKeyOLXFNUSQDNBKSQ-UHFFFAOYSA-O
XLogP1.31
TPSA49.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-8-methyl-1H-quinolin-2-one
CID 143939354
8-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 23009265
3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one
CID 23009276
3-[[(2-fluorophenyl)methylamino]methyl]-8-methyl-1H-quinolin-2-one
CID 18525037
N-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 941828
8-methyl-3-[[2-(2-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one
CID 3176401
N-tert-butyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331121
3-[[2-(butylamino)phenyl]methyl]-8-methyl-1H-quinolin-2-one
CID 70399891
3-methoxy-8-methyl-1H-quinolin-2-one
CID 151998755
N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110325811
2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324455
N-(8-methyl-2-oxo-1H-quinolin-3-yl)acetamide
CID 14627531

Frequently Asked Questions

What is the IUPAC name of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl-propan-2-ylazanium?
The IUPAC name of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl-propan-2-ylazanium (CID 2066167) is (8-methyl-2-oxo-1H-quinolin-3-yl)methyl-propan-2-ylazanium.
What is the SMILES notation for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl-propan-2-ylazanium?
The canonical SMILES for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl-propan-2-ylazanium is Cc1cccc2cc(C[NH2+]C(C)C)c(=O)[nH]c12.
What is the InChIKey of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl-propan-2-ylazanium?
The InChIKey is OLXFNUSQDNBKSQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H18N2O/c1-9(2)15-8-12-7-11-6-4-5-10(3)13(11)16-14(12)17/h4-7,9,15H,8H2,1-3H3,(H,16,17)/p+1.
What are the key properties of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl-propan-2-ylazanium?
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-propan-2-ylazanium has a molecular weight of 231.32 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl-propan-2-ylazanium is sourced from PubChem (CID 2066167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).