3-(quinolin-8-ylmethylamino)pyridazine-4-carboxylic acid

C15H12N4O2 — CID 81435692

IUPAC3-(quinolin-8-ylmethylamino)pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1NCc1cccc2cccnc12
InChIInChI=1S/C15H12N4O2/c20-15(21)12-6-8-18-19-14(12)17-9-11-4-1-3-10-5-2-7-16-13(10)11/h1-8H,9H2,(H,17,19)(H,20,21)
InChIKeyPBQJTYXWORZGMM-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.34
Rot. Bonds4

About 3-(quinolin-8-ylmethylamino)pyridazine-4-carboxylic acid

3-(quinolin-8-ylmethylamino)pyridazine-4-carboxylic acid (PubChem CID 81435692) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 3-(quinolin-8-ylmethylamino)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(quinolin-8-ylmethylamino)pyridazine-4-carboxylic acid
PubChem CID81435692
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name3-(quinolin-8-ylmethylamino)pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1NCc1cccc2cccnc12
InChIInChI=1S/C15H12N4O2/c20-15(21)12-6-8-18-19-14(12)17-9-11-4-1-3-10-5-2-7-16-13(10)11/h1-8H,9H2,(H,17,19)(H,20,21)
InChIKeyPBQJTYXWORZGMM-UHFFFAOYSA-N
XLogP2.34
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(quinolin-8-ylmethylamino)benzoic acid
CID 43321603
2-fluoro-4-(quinolin-8-ylmethylamino)benzoic acid
CID 147944302
N-(quinolin-8-ylmethyl)aniline
CID 28610045
bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid
CID 121229149
2-(quinolin-8-ylmethylamino)acetic acid
CID 43135065
3,6-dimethyl-N-(quinolin-8-ylmethyl)pyrazin-2-amine
CID 81423227
3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carboxylic acid
CID 80516563
3-(thiophen-2-ylmethylamino)pyridazine-4-carboxylic acid
CID 80517907
3-methyl-2-(quinolin-8-ylmethylamino)butanoic acid
CID 43468279
2-fluoro-N-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 107358803
2-methyl-2-(quinolin-8-ylmethylamino)pentanoic acid
CID 43619541
2-(quinolin-8-ylmethylamino)propanoic acid
CID 43467362

Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-8-ylmethylamino)pyridazine-4-carboxylic acid?
The IUPAC name of 3-(quinolin-8-ylmethylamino)pyridazine-4-carboxylic acid (CID 81435692) is 3-(quinolin-8-ylmethylamino)pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(quinolin-8-ylmethylamino)pyridazine-4-carboxylic acid?
The canonical SMILES for 3-(quinolin-8-ylmethylamino)pyridazine-4-carboxylic acid is O=C(O)c1ccnnc1NCc1cccc2cccnc12.
What is the InChIKey of 3-(quinolin-8-ylmethylamino)pyridazine-4-carboxylic acid?
The InChIKey is PBQJTYXWORZGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c20-15(21)12-6-8-18-19-14(12)17-9-11-4-1-3-10-5-2-7-16-13(10)11/h1-8H,9H2,(H,17,19)(H,20,21).
What are the key properties of 3-(quinolin-8-ylmethylamino)pyridazine-4-carboxylic acid?
3-(quinolin-8-ylmethylamino)pyridazine-4-carboxylic acid has a molecular weight of 280.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-8-ylmethylamino)pyridazine-4-carboxylic acid is sourced from PubChem (CID 81435692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).