(4-amino-3-ethylquinolin-2-yl)-dimethylazanium

C13H18N3+ — CID 1394213

IUPAC(4-amino-3-ethylquinolin-2-yl)-dimethylazanium
SMILESCCc1c([NH+](C)C)nc2ccccc2c1N
InChIInChI=1S/C13H17N3/c1-4-9-12(14)10-7-5-6-8-11(10)15-13(9)16(2)3/h5-8H,4H2,1-3H3,(H2,14,15)/p+1
InChIKeyQFVQHSUSSINTLS-UHFFFAOYSA-O
MW216.31 g/mol
LogP1.16
Rot. Bonds2

About (4-amino-3-ethylquinolin-2-yl)-dimethylazanium

(4-amino-3-ethylquinolin-2-yl)-dimethylazanium (PubChem CID 1394213) has the molecular formula C13H18N3+ and a molecular weight of 216.31 g/mol. Its IUPAC name is (4-amino-3-ethylquinolin-2-yl)-dimethylazanium.

Molecular Properties

Compound Name(4-amino-3-ethylquinolin-2-yl)-dimethylazanium
PubChem CID1394213
Molecular FormulaC13H18N3+
Molecular Weight216.31 g/mol
Exact Mass216.15
IUPAC Name(4-amino-3-ethylquinolin-2-yl)-dimethylazanium
SMILESCCc1c([NH+](C)C)nc2ccccc2c1N
InChIInChI=1S/C13H17N3/c1-4-9-12(14)10-7-5-6-8-11(10)15-13(9)16(2)3/h5-8H,4H2,1-3H3,(H2,14,15)/p+1
InChIKeyQFVQHSUSSINTLS-UHFFFAOYSA-O
XLogP1.16
TPSA43.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-2-N,2-N-dimethylquinoline-2,4-diamine
CID 910757
acridin-9-amine;λ2-plumbane
CID 173496858
2-(4-ethyl-3-methylquinolin-2-yl)aniline
CID 134843455
4-ethylquinazolin-2-amine
CID 10352174
2-fluoro-3-methylquinolin-4-amine
CID 141294686
2-ethyl-3-naphthalen-2-ylquinolin-4-amine
CID 174282639
1-ethylsulfanylacridin-9-amine
CID 13048104
4-ethyl-2-methylquinoline-3-carboxamide
CID 167809004
9-ethyl-10-[(10-ethylanthracen-9-yl)methyl]anthracene
CID 59194323
4-amino-2-(2-ethylphenyl)quinoline-3-carboxylic acid
CID 69016708
acridin-9-ylmethanamine;hydrochloride
CID 146014034
3-bromo-2-methylquinolin-4-amine;hydrochloride
CID 3022129

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-ethylquinolin-2-yl)-dimethylazanium?
The IUPAC name of (4-amino-3-ethylquinolin-2-yl)-dimethylazanium (CID 1394213) is (4-amino-3-ethylquinolin-2-yl)-dimethylazanium.
What is the SMILES notation for (4-amino-3-ethylquinolin-2-yl)-dimethylazanium?
The canonical SMILES for (4-amino-3-ethylquinolin-2-yl)-dimethylazanium is CCc1c([NH+](C)C)nc2ccccc2c1N.
What is the InChIKey of (4-amino-3-ethylquinolin-2-yl)-dimethylazanium?
The InChIKey is QFVQHSUSSINTLS-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H17N3/c1-4-9-12(14)10-7-5-6-8-11(10)15-13(9)16(2)3/h5-8H,4H2,1-3H3,(H2,14,15)/p+1.
What are the key properties of (4-amino-3-ethylquinolin-2-yl)-dimethylazanium?
(4-amino-3-ethylquinolin-2-yl)-dimethylazanium has a molecular weight of 216.31 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-ethylquinolin-2-yl)-dimethylazanium is sourced from PubChem (CID 1394213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).