3-[[2-(N-methylanilino)-5,6,7,8-tetrahydroquinolin-5-yl]methylamino]pyridine-4-carboxylic acid

C23H24N4O2 — CID 118598074

IUPAC3-[[2-(N-methylanilino)-5,6,7,8-tetrahydroquinolin-5-yl]methylamino]pyridine-4-carboxylic acid
SMILESCN(c1ccccc1)c1ccc2c(n1)CCCC2CNc1cnccc1C(=O)O
InChIInChI=1S/C23H24N4O2/c1-27(17-7-3-2-4-8-17)22-11-10-18-16(6-5-9-20(18)26-22)14-25-21-15-24-13-12-19(21)23(28)29/h2-4,7-8,10-13,15-16,25H,5-6,9,14H2,1H3,(H,28,29)
InChIKeyQHDXBHOIWGLKEP-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.47
Rot. Bonds6

About 3-[[2-(N-methylanilino)-5,6,7,8-tetrahydroquinolin-5-yl]methylamino]pyridine-4-carboxylic acid

3-[[2-(N-methylanilino)-5,6,7,8-tetrahydroquinolin-5-yl]methylamino]pyridine-4-carboxylic acid (PubChem CID 118598074) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-[[2-(N-methylanilino)-5,6,7,8-tetrahydroquinolin-5-yl]methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(N-methylanilino)-5,6,7,8-tetrahydroquinolin-5-yl]methylamino]pyridine-4-carboxylic acid
PubChem CID118598074
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name3-[[2-(N-methylanilino)-5,6,7,8-tetrahydroquinolin-5-yl]methylamino]pyridine-4-carboxylic acid
SMILESCN(c1ccccc1)c1ccc2c(n1)CCCC2CNc1cnccc1C(=O)O
InChIInChI=1S/C23H24N4O2/c1-27(17-7-3-2-4-8-17)22-11-10-18-16(6-5-9-20(18)26-22)14-25-21-15-24-13-12-19(21)23(28)29/h2-4,7-8,10-13,15-16,25H,5-6,9,14H2,1H3,(H,28,29)
InChIKeyQHDXBHOIWGLKEP-UHFFFAOYSA-N
XLogP4.47
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(N-methylanilino)-5,6,7,8-tetrahydroquinolin-5-yl]methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[[2-(N-methylanilino)-5,6,7,8-tetrahydroquinolin-5-yl]methylamino]pyridine-4-carboxylic acid (CID 118598074) is 3-[[2-(N-methylanilino)-5,6,7,8-tetrahydroquinolin-5-yl]methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[[2-(N-methylanilino)-5,6,7,8-tetrahydroquinolin-5-yl]methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[[2-(N-methylanilino)-5,6,7,8-tetrahydroquinolin-5-yl]methylamino]pyridine-4-carboxylic acid is CN(c1ccccc1)c1ccc2c(n1)CCCC2CNc1cnccc1C(=O)O.
What is the InChIKey of 3-[[2-(N-methylanilino)-5,6,7,8-tetrahydroquinolin-5-yl]methylamino]pyridine-4-carboxylic acid?
The InChIKey is QHDXBHOIWGLKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-27(17-7-3-2-4-8-17)22-11-10-18-16(6-5-9-20(18)26-22)14-25-21-15-24-13-12-19(21)23(28)29/h2-4,7-8,10-13,15-16,25H,5-6,9,14H2,1H3,(H,28,29).
What are the key properties of 3-[[2-(N-methylanilino)-5,6,7,8-tetrahydroquinolin-5-yl]methylamino]pyridine-4-carboxylic acid?
3-[[2-(N-methylanilino)-5,6,7,8-tetrahydroquinolin-5-yl]methylamino]pyridine-4-carboxylic acid has a molecular weight of 388.47 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(N-methylanilino)-5,6,7,8-tetrahydroquinolin-5-yl]methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 118598074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).