4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4,8-diamine

C15H17N5 — CID 83060444

IUPAC4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4,8-diamine
SMILESCN(Cc1cnn(C)c1)c1ccnc2c(N)cccc12
InChIInChI=1S/C15H17N5/c1-19(9-11-8-18-20(2)10-11)14-6-7-17-15-12(14)4-3-5-13(15)16/h3-8,10H,9,16H2,1-2H3
InChIKeyOKUPHMQUWGZJQI-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.19
Rot. Bonds3

About 4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4,8-diamine

4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4,8-diamine (PubChem CID 83060444) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4,8-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4,8-diamine
PubChem CID83060444
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4,8-diamine
SMILESCN(Cc1cnn(C)c1)c1ccnc2c(N)cccc12
InChIInChI=1S/C15H17N5/c1-19(9-11-8-18-20(2)10-11)14-6-7-17-15-12(14)4-3-5-13(15)16/h3-8,10H,9,16H2,1-2H3
InChIKeyOKUPHMQUWGZJQI-UHFFFAOYSA-N
XLogP2.19
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3,4-diamine
CID 61438479
8-N-methyl-8-N-[(1-methylpyrazol-4-yl)methyl]isoquinoline-5,8-diamine
CID 103137557
3-chloro-1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,2-diamine
CID 104834246
2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-3-amine
CID 113447418
3-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine
CID 81246090
5-N-methyl-5-N-(pyridin-3-ylmethyl)quinoline-5,8-diamine
CID 43563386
3-[[(8-aminoquinolin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 83060904
4-N-methyl-4-N-pentan-3-ylquinoline-4,8-diamine
CID 83060957
2-[(1S)-1-aminoethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 78934710
5-N-[(3-fluorophenyl)methyl]-5-N-methylquinoline-5,8-diamine
CID 43449405
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzaldehyde
CID 61442479
6-N-methyl-6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
CID 79827181

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4,8-diamine?
The IUPAC name of 4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4,8-diamine (CID 83060444) is 4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4,8-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4,8-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4,8-diamine is CN(Cc1cnn(C)c1)c1ccnc2c(N)cccc12.
What is the InChIKey of 4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4,8-diamine?
The InChIKey is OKUPHMQUWGZJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-19(9-11-8-18-20(2)10-11)14-6-7-17-15-12(14)4-3-5-13(15)16/h3-8,10H,9,16H2,1-2H3.
What are the key properties of 4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4,8-diamine?
4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4,8-diamine has a molecular weight of 267.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4,8-diamine is sourced from PubChem (CID 83060444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).