6-chloro-4-(quinolin-6-ylmethylamino)pyridazine-3-carboxamide

C15H12ClN5O — CID 171090525

IUPAC6-chloro-4-(quinolin-6-ylmethylamino)pyridazine-3-carboxamide
SMILESNC(=O)c1nnc(Cl)cc1NCc1ccc2ncccc2c1
InChIInChI=1S/C15H12ClN5O/c16-13-7-12(14(15(17)22)21-20-13)19-8-9-3-4-11-10(6-9)2-1-5-18-11/h1-7H,8H2,(H2,17,22)(H,19,20)
InChIKeyCUUDQRWMTLNNBW-UHFFFAOYSA-N
MW313.75 g/mol
LogP2.39
Rot. Bonds4

About 6-chloro-4-(quinolin-6-ylmethylamino)pyridazine-3-carboxamide

6-chloro-4-(quinolin-6-ylmethylamino)pyridazine-3-carboxamide (PubChem CID 171090525) has the molecular formula C15H12ClN5O and a molecular weight of 313.75 g/mol. Its IUPAC name is 6-chloro-4-(quinolin-6-ylmethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-(quinolin-6-ylmethylamino)pyridazine-3-carboxamide
PubChem CID171090525
Molecular FormulaC15H12ClN5O
Molecular Weight313.75 g/mol
Exact Mass313.07
IUPAC Name6-chloro-4-(quinolin-6-ylmethylamino)pyridazine-3-carboxamide
SMILESNC(=O)c1nnc(Cl)cc1NCc1ccc2ncccc2c1
InChIInChI=1S/C15H12ClN5O/c16-13-7-12(14(15(17)22)21-20-13)19-8-9-3-4-11-10(6-9)2-1-5-18-11/h1-7H,8H2,(H2,17,22)(H,19,20)
InChIKeyCUUDQRWMTLNNBW-UHFFFAOYSA-N
XLogP2.39
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-chloro-4-(quinolin-6-ylmethylamino)pyridazine-3-carboxylate
CID 171090681
2-(quinolin-6-ylmethylamino)benzoic acid
CID 63969915
2-bromo-4-chloro-N-(quinolin-6-ylmethyl)aniline
CID 81263311
2-ethyl-N-(quinolin-6-ylmethyl)aniline
CID 28521209
2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide
CID 110470774
2,4-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776204
2-chloro-4-N-(quinolin-6-ylmethyl)pyrimidine-4,5-diamine
CID 59627820
6-chloro-3-nitro-2-N-(quinolin-6-ylmethyl)pyridine-2,4-diamine
CID 86671447
3-chloro-2,2-dimethyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 115363507
2-fluoro-5-methyl-N-(quinolin-6-ylmethyl)aniline
CID 28968475
2-bromo-4-fluoro-N-(quinolin-6-ylmethyl)aniline
CID 28939327
4-chloro-3-fluoro-N-(quinolin-6-ylmethyl)aniline
CID 61470243

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(quinolin-6-ylmethylamino)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-4-(quinolin-6-ylmethylamino)pyridazine-3-carboxamide (CID 171090525) is 6-chloro-4-(quinolin-6-ylmethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-(quinolin-6-ylmethylamino)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-4-(quinolin-6-ylmethylamino)pyridazine-3-carboxamide is NC(=O)c1nnc(Cl)cc1NCc1ccc2ncccc2c1.
What is the InChIKey of 6-chloro-4-(quinolin-6-ylmethylamino)pyridazine-3-carboxamide?
The InChIKey is CUUDQRWMTLNNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O/c16-13-7-12(14(15(17)22)21-20-13)19-8-9-3-4-11-10(6-9)2-1-5-18-11/h1-7H,8H2,(H2,17,22)(H,19,20).
What are the key properties of 6-chloro-4-(quinolin-6-ylmethylamino)pyridazine-3-carboxamide?
6-chloro-4-(quinolin-6-ylmethylamino)pyridazine-3-carboxamide has a molecular weight of 313.75 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(quinolin-6-ylmethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 171090525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).