N-[[(E)-(1-methylpyrazol-4-yl)methylideneamino]methyl]-1-quinolin-6-ylethanamine

C17H19N5 — CID 155557686

IUPACN-[[(E)-(1-methylpyrazol-4-yl)methylideneamino]methyl]-1-quinolin-6-ylethanamine
SMILESCC(NC/N=C/c1cnn(C)c1)c1ccc2ncccc2c1
InChIInChI=1S/C17H19N5/c1-13(20-12-18-9-14-10-21-22(2)11-14)15-5-6-17-16(8-15)4-3-7-19-17/h3-11,13,20H,12H2,1-2H3/b18-9+
InChIKeyBJQQULXKQNBAGE-GIJQJNRQSA-N
MW293.37 g/mol
LogP2.70
Rot. Bonds5

About N-[[(E)-(1-methylpyrazol-4-yl)methylideneamino]methyl]-1-quinolin-6-ylethanamine

N-[[(E)-(1-methylpyrazol-4-yl)methylideneamino]methyl]-1-quinolin-6-ylethanamine (PubChem CID 155557686) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[[(E)-(1-methylpyrazol-4-yl)methylideneamino]methyl]-1-quinolin-6-ylethanamine.

Molecular Properties

Compound NameN-[[(E)-(1-methylpyrazol-4-yl)methylideneamino]methyl]-1-quinolin-6-ylethanamine
PubChem CID155557686
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC NameN-[[(E)-(1-methylpyrazol-4-yl)methylideneamino]methyl]-1-quinolin-6-ylethanamine
SMILESCC(NC/N=C/c1cnn(C)c1)c1ccc2ncccc2c1
InChIInChI=1S/C17H19N5/c1-13(20-12-18-9-14-10-21-22(2)11-14)15-5-6-17-16(8-15)4-3-7-19-17/h3-11,13,20H,12H2,1-2H3/b18-9+
InChIKeyBJQQULXKQNBAGE-GIJQJNRQSA-N
XLogP2.70
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ly-364947
CID 447966
Besipirdine
CID 60691
A-83-01
CID 16218924
1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 24905152
Diethyl[4-(4-quinolylamino)pentyl]amine
CID 474865
3-(Pyrrolidin-2-yl)quinoline
CID 3980642
(S)-1-(1H-pyrrolo[2,3-f]quinolin-1-yl)-2-propylamine
CID 10198431
Butyl-indol-1-yl-pyridin-4-yl-amine
CID 10801657
(3-Ethyl-indol-1-yl)-propyl-pyridin-4-yl-amine
CID 10850308
2-Phenyl-2H-pyrazolo[4,3-c]quinoline
CID 11470612
(R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 46890563
(R)-2-(1,5-dimethyl-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 10019811

Frequently Asked Questions

What is the IUPAC name of N-[[(E)-(1-methylpyrazol-4-yl)methylideneamino]methyl]-1-quinolin-6-ylethanamine?
The IUPAC name of N-[[(E)-(1-methylpyrazol-4-yl)methylideneamino]methyl]-1-quinolin-6-ylethanamine (CID 155557686) is N-[[(E)-(1-methylpyrazol-4-yl)methylideneamino]methyl]-1-quinolin-6-ylethanamine.
What is the SMILES notation for N-[[(E)-(1-methylpyrazol-4-yl)methylideneamino]methyl]-1-quinolin-6-ylethanamine?
The canonical SMILES for N-[[(E)-(1-methylpyrazol-4-yl)methylideneamino]methyl]-1-quinolin-6-ylethanamine is CC(NC/N=C/c1cnn(C)c1)c1ccc2ncccc2c1.
What is the InChIKey of N-[[(E)-(1-methylpyrazol-4-yl)methylideneamino]methyl]-1-quinolin-6-ylethanamine?
The InChIKey is BJQQULXKQNBAGE-GIJQJNRQSA-N. The full InChI is InChI=1S/C17H19N5/c1-13(20-12-18-9-14-10-21-22(2)11-14)15-5-6-17-16(8-15)4-3-7-19-17/h3-11,13,20H,12H2,1-2H3/b18-9+.
What are the key properties of N-[[(E)-(1-methylpyrazol-4-yl)methylideneamino]methyl]-1-quinolin-6-ylethanamine?
N-[[(E)-(1-methylpyrazol-4-yl)methylideneamino]methyl]-1-quinolin-6-ylethanamine has a molecular weight of 293.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(E)-(1-methylpyrazol-4-yl)methylideneamino]methyl]-1-quinolin-6-ylethanamine is sourced from PubChem (CID 155557686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).