6-[4-(dimethylamino)benzoyl]-2-(2-methoxyethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

C19H24N4O3 — CID 91894524

IUPAC6-[4-(dimethylamino)benzoyl]-2-(2-methoxyethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCOCCn1nc2c(cc1=O)CN(C(=O)c1ccc(N(C)C)cc1)CC2
InChIInChI=1S/C19H24N4O3/c1-21(2)16-6-4-14(5-7-16)19(25)22-9-8-17-15(13-22)12-18(24)23(20-17)10-11-26-3/h4-7,12H,8-11,13H2,1-3H3
InChIKeyNXPINYVYIUEHAY-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.15
Rot. Bonds5

About 6-[4-(dimethylamino)benzoyl]-2-(2-methoxyethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

6-[4-(dimethylamino)benzoyl]-2-(2-methoxyethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (PubChem CID 91894524) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 6-[4-(dimethylamino)benzoyl]-2-(2-methoxyethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name6-[4-(dimethylamino)benzoyl]-2-(2-methoxyethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
PubChem CID91894524
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name6-[4-(dimethylamino)benzoyl]-2-(2-methoxyethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCOCCn1nc2c(cc1=O)CN(C(=O)c1ccc(N(C)C)cc1)CC2
InChIInChI=1S/C19H24N4O3/c1-21(2)16-6-4-14(5-7-16)19(25)22-9-8-17-15(13-22)12-18(24)23(20-17)10-11-26-3/h4-7,12H,8-11,13H2,1-3H3
InChIKeyNXPINYVYIUEHAY-UHFFFAOYSA-N
XLogP1.15
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[4-(dimethylamino)benzoyl]-2-(2-methoxyethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one with MolForge

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Related Compounds

6-[4-(dimethylamino)benzoyl]-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 91894565
N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide
CID 91894591
2-[4-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl)phenoxy]acetic acid
CID 146135786
5-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-ethyl-2-(2-methoxyethyl)-1,2,4-triazol-3-one
CID 121115268
6-(3-methoxybenzoyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 136529400
[4-(dimethylamino)phenyl]-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 92608012
methyl 7-[4-(dimethylamino)benzoyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
CID 112535220
7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[4-(dimethylamino)phenyl]methanone
CID 110661408
4-[4-(dimethylamino)benzoyl]-1-methylpiperazin-2-one
CID 110741167
(4-methoxyphenyl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 110872625
3-(dimethylamino)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277262
N-[2-(2-methoxyethyl)-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-4-propan-2-ylbenzamide
CID 163446789

Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)benzoyl]-2-(2-methoxyethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 6-[4-(dimethylamino)benzoyl]-2-(2-methoxyethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (CID 91894524) is 6-[4-(dimethylamino)benzoyl]-2-(2-methoxyethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 6-[4-(dimethylamino)benzoyl]-2-(2-methoxyethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 6-[4-(dimethylamino)benzoyl]-2-(2-methoxyethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is COCCn1nc2c(cc1=O)CN(C(=O)c1ccc(N(C)C)cc1)CC2.
What is the InChIKey of 6-[4-(dimethylamino)benzoyl]-2-(2-methoxyethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The InChIKey is NXPINYVYIUEHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-21(2)16-6-4-14(5-7-16)19(25)22-9-8-17-15(13-22)12-18(24)23(20-17)10-11-26-3/h4-7,12H,8-11,13H2,1-3H3.
What are the key properties of 6-[4-(dimethylamino)benzoyl]-2-(2-methoxyethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
6-[4-(dimethylamino)benzoyl]-2-(2-methoxyethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one has a molecular weight of 356.43 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)benzoyl]-2-(2-methoxyethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 91894524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).