(2-methylquinolin-8-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone

C19H19N5O — CID 75373203

IUPAC(2-methylquinolin-8-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
SMILESCc1ccc2cccc(C(=O)N3CCN(c4cccnn4)CC3)c2n1
InChIInChI=1S/C19H19N5O/c1-14-7-8-15-4-2-5-16(18(15)21-14)19(25)24-12-10-23(11-13-24)17-6-3-9-20-22-17/h2-9H,10-13H2,1H3
InChIKeyVIGVLAFJQDPRMA-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.30
Rot. Bonds2

About (2-methylquinolin-8-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone

(2-methylquinolin-8-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone (PubChem CID 75373203) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is (2-methylquinolin-8-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylquinolin-8-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
PubChem CID75373203
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name(2-methylquinolin-8-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
SMILESCc1ccc2cccc(C(=O)N3CCN(c4cccnn4)CC3)c2n1
InChIInChI=1S/C19H19N5O/c1-14-7-8-15-4-2-5-16(18(15)21-14)19(25)24-12-10-23(11-13-24)17-6-3-9-20-22-17/h2-9H,10-13H2,1H3
InChIKeyVIGVLAFJQDPRMA-UHFFFAOYSA-N
XLogP2.30
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-(3-methyl-4-(1-(4-(trifluoromethyl)phenyl)pyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl)(phenyl)methanone
CID 25226761
[8-(4-Methylpiperazin-1-yl)-2,3-dihydropyrrolo[3,2-g]isoquinolin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 44404249
Pyridin-4-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 706924
[4-[6-(4-Morpholinyl)-3-pyridazinyl]-1-piperazinyl]-(2-pyridin-4-yl-4-quinolinyl)methanone
CID 3241112
3-Amino-6-methyl-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-3Hquinazolin-4-one
CID 11374124
3-Amino-8-methyl-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-3Hquinazolin-4-one
CID 23155667
6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]nicotinamide
CID 25065064
(R)-(3-methyl-4-(5-phenylpyrido[2,3-d]pyridazin-8-yl)piperazin-1-yl)(phenyl)methanone
CID 25224531
(R)-(3-methyl-4-(8-phenylpyrido[3,2-d]pyridazin-5-yl)piperazin-1-yl)(phenyl)methanone
CID 25224707
(r)-(3-Methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl)(phenyl)methanone
CID 25226762
(r)-(3-Methyl-4-(4-phenylpyrido[4,3-d]pyridazin-1-yl)piperazin-1-yl)(phenyl)methanone
CID 25226764
(S)-(2-methyl-4-(4-(pyridin-2-yl)phthalazin-1-yl)piperazin-1-yl)(phenyl)methanone
CID 46891106

Frequently Asked Questions

What is the IUPAC name of (2-methylquinolin-8-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-methylquinolin-8-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone (CID 75373203) is (2-methylquinolin-8-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methylquinolin-8-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methylquinolin-8-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone is Cc1ccc2cccc(C(=O)N3CCN(c4cccnn4)CC3)c2n1.
What is the InChIKey of (2-methylquinolin-8-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The InChIKey is VIGVLAFJQDPRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-14-7-8-15-4-2-5-16(18(15)21-14)19(25)24-12-10-23(11-13-24)17-6-3-9-20-22-17/h2-9H,10-13H2,1H3.
What are the key properties of (2-methylquinolin-8-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
(2-methylquinolin-8-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone has a molecular weight of 333.40 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylquinolin-8-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 75373203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).