3-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-1H-quinolin-2-one

C19H19N5O2 — CID 56778416

IUPAC3-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-1H-quinolin-2-one
SMILESCCNc1cc2c(nn1)CCN(C(=O)c1cc3ccccc3[nH]c1=O)C2
InChIInChI=1S/C19H19N5O2/c1-2-20-17-10-13-11-24(8-7-16(13)22-23-17)19(26)14-9-12-5-3-4-6-15(12)21-18(14)25/h3-6,9-10H,2,7-8,11H2,1H3,(H,20,23)(H,21,25)
InChIKeyOWWOSKKZYMODNF-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.95
Rot. Bonds3

About 3-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-1H-quinolin-2-one

3-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-1H-quinolin-2-one (PubChem CID 56778416) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-1H-quinolin-2-one
PubChem CID56778416
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name3-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-1H-quinolin-2-one
SMILESCCNc1cc2c(nn1)CCN(C(=O)c1cc3ccccc3[nH]c1=O)C2
InChIInChI=1S/C19H19N5O2/c1-2-20-17-10-13-11-24(8-7-16(13)22-23-17)19(26)14-9-12-5-3-4-6-15(12)21-18(14)25/h3-6,9-10H,2,7-8,11H2,1H3,(H,20,23)(H,21,25)
InChIKeyOWWOSKKZYMODNF-UHFFFAOYSA-N
XLogP1.95
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 3-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-1H-quinolin-2-one (CID 56778416) is 3-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-1H-quinolin-2-one is CCNc1cc2c(nn1)CCN(C(=O)c1cc3ccccc3[nH]c1=O)C2.
What is the InChIKey of 3-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-1H-quinolin-2-one?
The InChIKey is OWWOSKKZYMODNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-2-20-17-10-13-11-24(8-7-16(13)22-23-17)19(26)14-9-12-5-3-4-6-15(12)21-18(14)25/h3-6,9-10H,2,7-8,11H2,1H3,(H,20,23)(H,21,25).
What are the key properties of 3-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-1H-quinolin-2-one?
3-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-1H-quinolin-2-one has a molecular weight of 349.39 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 56778416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).