3-(1-ethoxypropan-2-ylideneamino)-4-methylquinolin-2-amine

C15H19N3O — CID 177318344

IUPAC3-(1-ethoxypropan-2-ylideneamino)-4-methylquinolin-2-amine
SMILESCCOC/C(C)=N/c1c(N)nc2ccccc2c1C
InChIInChI=1S/C15H19N3O/c1-4-19-9-10(2)17-14-11(3)12-7-5-6-8-13(12)18-15(14)16/h5-8H,4,9H2,1-3H3,(H2,16,18)/b17-10+
InChIKeyUTAXTHGDEJZDMZ-LICLKQGHSA-N
MW257.34 g/mol
LogP3.25
Rot. Bonds4

About 3-(1-ethoxypropan-2-ylideneamino)-4-methylquinolin-2-amine

3-(1-ethoxypropan-2-ylideneamino)-4-methylquinolin-2-amine (PubChem CID 177318344) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-(1-ethoxypropan-2-ylideneamino)-4-methylquinolin-2-amine.

Molecular Properties

Compound Name3-(1-ethoxypropan-2-ylideneamino)-4-methylquinolin-2-amine
PubChem CID177318344
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-(1-ethoxypropan-2-ylideneamino)-4-methylquinolin-2-amine
SMILESCCOC/C(C)=N/c1c(N)nc2ccccc2c1C
InChIInChI=1S/C15H19N3O/c1-4-19-9-10(2)17-14-11(3)12-7-5-6-8-13(12)18-15(14)16/h5-8H,4,9H2,1-3H3,(H2,16,18)/b17-10+
InChIKeyUTAXTHGDEJZDMZ-LICLKQGHSA-N
XLogP3.25
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-(1-ethoxypropan-2-ylideneamino)-4-methylquinolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-4-amine
CID 118146427
(NE)-N-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentan-2-ylidene]hydroxylamine
CID 58869097
ethane;formaldehyde;4-methyl-3-(4-propoxybutylideneamino)quinolin-2-amine;(3Z,5E)-7,7,7-trifluoro-3-methylhepta-1,3,5-triene
CID 142145809
ethyl 2-amino-4-chloroquinoline-3-carboxylate
CID 141107450
2-(ethoxymethyl)-1-ethylimidazo[4,5-c]quinolin-4-amine
CID 122646444
2-(ethoxymethyl)-1-[3-(propan-2-ylideneamino)oxypropyl]imidazo[4,5-c]quinolin-4-amine
CID 58835308
2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethylcarbamic acid
CID 146308241
ethoxyethane;phenanthrene
CID 174652079
fluoroform;(6E)-7-methoxy-3-methylsulfonylocta-1,6-dien-4-yne;4-methyl-3-(4-propoxybutylideneamino)quinolin-2-amine
CID 142145803
1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride
CID 76902470
2-(ethoxymethyl)-1-[(2E)-2-methoxyiminobutyl]imidazo[4,5-c]quinolin-4-amine
CID 58869093
2-[(3-ethoxycarbonyl-4-methylquinolin-2-yl)amino]acetic acid
CID 122047294

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxypropan-2-ylideneamino)-4-methylquinolin-2-amine?
The IUPAC name of 3-(1-ethoxypropan-2-ylideneamino)-4-methylquinolin-2-amine (CID 177318344) is 3-(1-ethoxypropan-2-ylideneamino)-4-methylquinolin-2-amine.
What is the SMILES notation for 3-(1-ethoxypropan-2-ylideneamino)-4-methylquinolin-2-amine?
The canonical SMILES for 3-(1-ethoxypropan-2-ylideneamino)-4-methylquinolin-2-amine is CCOC/C(C)=N/c1c(N)nc2ccccc2c1C.
What is the InChIKey of 3-(1-ethoxypropan-2-ylideneamino)-4-methylquinolin-2-amine?
The InChIKey is UTAXTHGDEJZDMZ-LICLKQGHSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-19-9-10(2)17-14-11(3)12-7-5-6-8-13(12)18-15(14)16/h5-8H,4,9H2,1-3H3,(H2,16,18)/b17-10+.
What are the key properties of 3-(1-ethoxypropan-2-ylideneamino)-4-methylquinolin-2-amine?
3-(1-ethoxypropan-2-ylideneamino)-4-methylquinolin-2-amine has a molecular weight of 257.34 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxypropan-2-ylideneamino)-4-methylquinolin-2-amine is sourced from PubChem (CID 177318344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).