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1-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-quinolin-8-ylethanone

C19H19N5O — CID 154747926

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-quinolin-8-ylethanone
SMILESCNc1cc2c(nn1)CCN(C(=O)Cc1cccc3cccnc13)C2
InChIInChI=1S/C19H19N5O/c1-20-17-10-15-12-24(9-7-16(15)22-23-17)18(25)11-14-5-2-4-13-6-3-8-21-19(13)14/h2-6,8,10H,7,9,11-12H2,1H3,(H,20,23)
InChIKeyGSDUMCSAOIUSKO-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.19
Rot. Bonds3

About 1-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-quinolin-8-ylethanone

1-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-quinolin-8-ylethanone (PubChem CID 154747926) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-quinolin-8-ylethanone.

Molecular Properties

Compound Name1-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-quinolin-8-ylethanone
PubChem CID154747926
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC Name1-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-quinolin-8-ylethanone
SMILESCNc1cc2c(nn1)CCN(C(=O)Cc1cccc3cccnc13)C2
InChIInChI=1S/C19H19N5O/c1-20-17-10-15-12-24(9-7-16(15)22-23-17)18(25)11-14-5-2-4-13-6-3-8-21-19(13)14/h2-6,8,10H,7,9,11-12H2,1H3,(H,20,23)
InChIKeyGSDUMCSAOIUSKO-UHFFFAOYSA-N
XLogP2.19
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-quinolin-8-ylethanone?
The IUPAC name of 1-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-quinolin-8-ylethanone (CID 154747926) is 1-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-quinolin-8-ylethanone.
What is the SMILES notation for 1-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-quinolin-8-ylethanone?
The canonical SMILES for 1-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-quinolin-8-ylethanone is CNc1cc2c(nn1)CCN(C(=O)Cc1cccc3cccnc13)C2.
What is the InChIKey of 1-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-quinolin-8-ylethanone?
The InChIKey is GSDUMCSAOIUSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-20-17-10-15-12-24(9-7-16(15)22-23-17)18(25)11-14-5-2-4-13-6-3-8-21-19(13)14/h2-6,8,10H,7,9,11-12H2,1H3,(H,20,23).
What are the key properties of 1-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-quinolin-8-ylethanone?
1-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-quinolin-8-ylethanone has a molecular weight of 333.39 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-quinolin-8-ylethanone is sourced from PubChem (CID 154747926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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