6-ethoxy-2-methyl-N-quinolin-8-ylquinolin-4-amine

C21H19N3O — CID 169487796

IUPAC6-ethoxy-2-methyl-N-quinolin-8-ylquinolin-4-amine
SMILESCCOc1ccc2nc(C)cc(Nc3cccc4cccnc34)c2c1
InChIInChI=1S/C21H19N3O/c1-3-25-16-9-10-18-17(13-16)20(12-14(2)23-18)24-19-8-4-6-15-7-5-11-22-21(15)19/h4-13H,3H2,1-2H3,(H,23,24)
InChIKeyBWRQRYNNTBPLGZ-UHFFFAOYSA-N
MW329.40 g/mol
LogP5.23
Rot. Bonds4

About 6-ethoxy-2-methyl-N-quinolin-8-ylquinolin-4-amine

6-ethoxy-2-methyl-N-quinolin-8-ylquinolin-4-amine (PubChem CID 169487796) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 6-ethoxy-2-methyl-N-quinolin-8-ylquinolin-4-amine.

Molecular Properties

Compound Name6-ethoxy-2-methyl-N-quinolin-8-ylquinolin-4-amine
PubChem CID169487796
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name6-ethoxy-2-methyl-N-quinolin-8-ylquinolin-4-amine
SMILESCCOc1ccc2nc(C)cc(Nc3cccc4cccnc34)c2c1
InChIInChI=1S/C21H19N3O/c1-3-25-16-9-10-18-17(13-16)20(12-14(2)23-18)24-19-8-4-6-15-7-5-11-22-21(15)19/h4-13H,3H2,1-2H3,(H,23,24)
InChIKeyBWRQRYNNTBPLGZ-UHFFFAOYSA-N
XLogP5.23
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dichlorophenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 169487789
6-ethoxy-N-(2-fluorophenyl)-2-methylquinolin-4-amine;hydrochloride
CID 56728858
6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine
CID 696588
N-(3-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 169487736
methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzoate
CID 169487758
N-(6-ethoxy-2-methylquinolin-4-yl)-4-naphthalen-1-yl-1,3-thiazol-2-amine
CID 169487709
N-(3-chloro-4-methylphenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 948543
4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-hydroxybenzamide
CID 176515048
N-(6-ethoxy-2-methylquinolin-4-yl)-4-phenyl-1,3-thiazol-2-amine
CID 169487705
methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]-4,5-dimethoxybenzoate
CID 25022707
6-ethoxy-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinolin-4-amine
CID 169487793
4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 44587237

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-methyl-N-quinolin-8-ylquinolin-4-amine?
The IUPAC name of 6-ethoxy-2-methyl-N-quinolin-8-ylquinolin-4-amine (CID 169487796) is 6-ethoxy-2-methyl-N-quinolin-8-ylquinolin-4-amine.
What is the SMILES notation for 6-ethoxy-2-methyl-N-quinolin-8-ylquinolin-4-amine?
The canonical SMILES for 6-ethoxy-2-methyl-N-quinolin-8-ylquinolin-4-amine is CCOc1ccc2nc(C)cc(Nc3cccc4cccnc34)c2c1.
What is the InChIKey of 6-ethoxy-2-methyl-N-quinolin-8-ylquinolin-4-amine?
The InChIKey is BWRQRYNNTBPLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-3-25-16-9-10-18-17(13-16)20(12-14(2)23-18)24-19-8-4-6-15-7-5-11-22-21(15)19/h4-13H,3H2,1-2H3,(H,23,24).
What are the key properties of 6-ethoxy-2-methyl-N-quinolin-8-ylquinolin-4-amine?
6-ethoxy-2-methyl-N-quinolin-8-ylquinolin-4-amine has a molecular weight of 329.40 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-methyl-N-quinolin-8-ylquinolin-4-amine is sourced from PubChem (CID 169487796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).