8,8-bis[4-(diethylamino)-2-ethoxyphenyl]-6,7-dihydropyrido[2,3-d]pyridazin-5-one

C31H41N5O3 — CID 158033603

IUPAC8,8-bis[4-(diethylamino)-2-ethoxyphenyl]-6,7-dihydropyrido[2,3-d]pyridazin-5-one
SMILESCCOc1cc(N(CC)CC)ccc1C1(c2ccc(N(CC)CC)cc2OCC)NNC(=O)c2cccnc21
InChIInChI=1S/C31H41N5O3/c1-7-35(8-2)22-15-17-25(27(20-22)38-11-5)31(29-24(14-13-19-32-29)30(37)33-34-31)26-18-16-23(36(9-3)10-4)21-28(26)39-12-6/h13-21,34H,7-12H2,1-6H3,(H,33,37)
InChIKeyFHMBCSYLIZWRMV-UHFFFAOYSA-N
MW531.70 g/mol
LogP5.11
Rot. Bonds12

About 8,8-bis[4-(diethylamino)-2-ethoxyphenyl]-6,7-dihydropyrido[2,3-d]pyridazin-5-one

8,8-bis[4-(diethylamino)-2-ethoxyphenyl]-6,7-dihydropyrido[2,3-d]pyridazin-5-one (PubChem CID 158033603) has the molecular formula C31H41N5O3 and a molecular weight of 531.70 g/mol. Its IUPAC name is 8,8-bis[4-(diethylamino)-2-ethoxyphenyl]-6,7-dihydropyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name8,8-bis[4-(diethylamino)-2-ethoxyphenyl]-6,7-dihydropyrido[2,3-d]pyridazin-5-one
PubChem CID158033603
Molecular FormulaC31H41N5O3
Molecular Weight531.70 g/mol
Exact Mass531.32
IUPAC Name8,8-bis[4-(diethylamino)-2-ethoxyphenyl]-6,7-dihydropyrido[2,3-d]pyridazin-5-one
SMILESCCOc1cc(N(CC)CC)ccc1C1(c2ccc(N(CC)CC)cc2OCC)NNC(=O)c2cccnc21
InChIInChI=1S/C31H41N5O3/c1-7-35(8-2)22-15-17-25(27(20-22)38-11-5)31(29-24(14-13-19-32-29)30(37)33-34-31)26-18-16-23(36(9-3)10-4)21-28(26)39-12-6/h13-21,34H,7-12H2,1-6H3,(H,33,37)
InChIKeyFHMBCSYLIZWRMV-UHFFFAOYSA-N
XLogP5.11
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.70
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

Analyze 8,8-bis[4-(diethylamino)-2-ethoxyphenyl]-6,7-dihydropyrido[2,3-d]pyridazin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8,8-bis[4-(dimethylamino)-2-methylphenyl]-6,7-dihydropyrido[2,3-d]pyridazin-5-one
CID 159575062
7,7-bis[4-(dipropylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one
CID 139834048
7-[4-(diethylamino)-2-ethoxynaphthalen-1-yl]-7-[4-(diethylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one
CID 20622255
7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 22283915
7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 68847413
3-[4-(diethylamino)-2-ethoxyphenyl]-3-[4-(diethylamino)-2-propoxyphenyl]furo[3,4-c]pyridin-1-one
CID 139669641
3-[2-chloro-4-(diethylamino)phenyl]-3-[4-(diethylamino)-2-ethoxyphenyl]furo[3,4-c]pyridin-1-one
CID 139669640
7-[4-(diethylamino)-2-ethoxyphenyl]-7-[1-ethyl-2-methyl-4-(methylamino)indol-3-yl]furo[3,4-b]pyridin-5-one
CID 22283948
7-[4-(diethylamino)-2-ethoxyphenyl]-7-(2-ethyl-1-octylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 18998081
7-[4-(diethylamino)-2-ethoxyphenyl]-7-[1-ethyl-2-(2-methylpropyl)indol-3-yl]furo[3,4-b]pyridin-5-one
CID 22644157
[1-[4-(diethylamino)-2-ethoxyphenyl]-3-oxo-2-benzofuran-1-yl] acetate
CID 19795572
7-[2-butoxy-4-(diethylamino)phenyl]-7-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 139885391

Frequently Asked Questions

What is the IUPAC name of 8,8-bis[4-(diethylamino)-2-ethoxyphenyl]-6,7-dihydropyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 8,8-bis[4-(diethylamino)-2-ethoxyphenyl]-6,7-dihydropyrido[2,3-d]pyridazin-5-one (CID 158033603) is 8,8-bis[4-(diethylamino)-2-ethoxyphenyl]-6,7-dihydropyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 8,8-bis[4-(diethylamino)-2-ethoxyphenyl]-6,7-dihydropyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 8,8-bis[4-(diethylamino)-2-ethoxyphenyl]-6,7-dihydropyrido[2,3-d]pyridazin-5-one is CCOc1cc(N(CC)CC)ccc1C1(c2ccc(N(CC)CC)cc2OCC)NNC(=O)c2cccnc21.
What is the InChIKey of 8,8-bis[4-(diethylamino)-2-ethoxyphenyl]-6,7-dihydropyrido[2,3-d]pyridazin-5-one?
The InChIKey is FHMBCSYLIZWRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N5O3/c1-7-35(8-2)22-15-17-25(27(20-22)38-11-5)31(29-24(14-13-19-32-29)30(37)33-34-31)26-18-16-23(36(9-3)10-4)21-28(26)39-12-6/h13-21,34H,7-12H2,1-6H3,(H,33,37).
What are the key properties of 8,8-bis[4-(diethylamino)-2-ethoxyphenyl]-6,7-dihydropyrido[2,3-d]pyridazin-5-one?
8,8-bis[4-(diethylamino)-2-ethoxyphenyl]-6,7-dihydropyrido[2,3-d]pyridazin-5-one has a molecular weight of 531.70 g/mol, XLogP of 5.11, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-bis[4-(diethylamino)-2-ethoxyphenyl]-6,7-dihydropyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 158033603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).