1-[6-(6,7-dimethoxyquinazolin-4-yl)-4,5,7,8-tetrahydro-1H-pyrido[4,3-c]pyridazin-3-yl]ethanol;ethane

C23H35N5O3 — CID 143413852

IUPAC1-[6-(6,7-dimethoxyquinazolin-4-yl)-4,5,7,8-tetrahydro-1H-pyrido[4,3-c]pyridazin-3-yl]ethanol;ethane
SMILESCC.CC.COc1cc2ncnc(N3CCC4=C(CC(C(C)O)=NN4)C3)c2cc1OC
InChIInChI=1S/C19H23N5O3.2C2H6/c1-11(25)15-6-12-9-24(5-4-14(12)22-23-15)19-13-7-17(26-2)18(27-3)8-16(13)20-10-21-19;2*1-2/h7-8,10-11,22,25H,4-6,9H2,1-3H3;2*1-2H3
InChIKeyIRQMIDVPTDUZQA-UHFFFAOYSA-N
MW429.57 g/mol
LogP3.89
Rot. Bonds4

About 1-[6-(6,7-dimethoxyquinazolin-4-yl)-4,5,7,8-tetrahydro-1H-pyrido[4,3-c]pyridazin-3-yl]ethanol;ethane

1-[6-(6,7-dimethoxyquinazolin-4-yl)-4,5,7,8-tetrahydro-1H-pyrido[4,3-c]pyridazin-3-yl]ethanol;ethane (PubChem CID 143413852) has the molecular formula C23H35N5O3 and a molecular weight of 429.57 g/mol. Its IUPAC name is 1-[6-(6,7-dimethoxyquinazolin-4-yl)-4,5,7,8-tetrahydro-1H-pyrido[4,3-c]pyridazin-3-yl]ethanol;ethane.

Molecular Properties

Compound Name1-[6-(6,7-dimethoxyquinazolin-4-yl)-4,5,7,8-tetrahydro-1H-pyrido[4,3-c]pyridazin-3-yl]ethanol;ethane
PubChem CID143413852
Molecular FormulaC23H35N5O3
Molecular Weight429.57 g/mol
Exact Mass429.27
IUPAC Name1-[6-(6,7-dimethoxyquinazolin-4-yl)-4,5,7,8-tetrahydro-1H-pyrido[4,3-c]pyridazin-3-yl]ethanol;ethane
SMILESCC.CC.COc1cc2ncnc(N3CCC4=C(CC(C(C)O)=NN4)C3)c2cc1OC
InChIInChI=1S/C19H23N5O3.2C2H6/c1-11(25)15-6-12-9-24(5-4-14(12)22-23-15)19-13-7-17(26-2)18(27-3)8-16(13)20-10-21-19;2*1-2/h7-8,10-11,22,25H,4-6,9H2,1-3H3;2*1-2H3
InChIKeyIRQMIDVPTDUZQA-UHFFFAOYSA-N
XLogP3.89
TPSA92.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[6-(6,7-dimethoxyquinazolin-4-yl)-4,5,7,8-tetrahydro-1H-pyrido[4,3-c]pyridazin-3-yl]ethanol;ethane with MolForge

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Related Compounds

4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline
CID 21002947
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;ethane
CID 143095921
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methylidenevanadium
CID 22954242
acetic acid;2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 143413817
1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 21487876
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-7-methoxyquinazoline
CID 11537337
4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 86756553
1-[7-methoxy-4-[5-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]quinazolin-6-yl]ethanol
CID 70315724
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid;ethane
CID 157041419
bis[(E)-[1-(6,7-dimethoxyquinazolin-4-yl)azepan-4-ylidene]methoxy]-oxophosphanium
CID 175450879

Frequently Asked Questions

What is the IUPAC name of 1-[6-(6,7-dimethoxyquinazolin-4-yl)-4,5,7,8-tetrahydro-1H-pyrido[4,3-c]pyridazin-3-yl]ethanol;ethane?
The IUPAC name of 1-[6-(6,7-dimethoxyquinazolin-4-yl)-4,5,7,8-tetrahydro-1H-pyrido[4,3-c]pyridazin-3-yl]ethanol;ethane (CID 143413852) is 1-[6-(6,7-dimethoxyquinazolin-4-yl)-4,5,7,8-tetrahydro-1H-pyrido[4,3-c]pyridazin-3-yl]ethanol;ethane.
What is the SMILES notation for 1-[6-(6,7-dimethoxyquinazolin-4-yl)-4,5,7,8-tetrahydro-1H-pyrido[4,3-c]pyridazin-3-yl]ethanol;ethane?
The canonical SMILES for 1-[6-(6,7-dimethoxyquinazolin-4-yl)-4,5,7,8-tetrahydro-1H-pyrido[4,3-c]pyridazin-3-yl]ethanol;ethane is CC.CC.COc1cc2ncnc(N3CCC4=C(CC(C(C)O)=NN4)C3)c2cc1OC.
What is the InChIKey of 1-[6-(6,7-dimethoxyquinazolin-4-yl)-4,5,7,8-tetrahydro-1H-pyrido[4,3-c]pyridazin-3-yl]ethanol;ethane?
The InChIKey is IRQMIDVPTDUZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3.2C2H6/c1-11(25)15-6-12-9-24(5-4-14(12)22-23-15)19-13-7-17(26-2)18(27-3)8-16(13)20-10-21-19;2*1-2/h7-8,10-11,22,25H,4-6,9H2,1-3H3;2*1-2H3.
What are the key properties of 1-[6-(6,7-dimethoxyquinazolin-4-yl)-4,5,7,8-tetrahydro-1H-pyrido[4,3-c]pyridazin-3-yl]ethanol;ethane?
1-[6-(6,7-dimethoxyquinazolin-4-yl)-4,5,7,8-tetrahydro-1H-pyrido[4,3-c]pyridazin-3-yl]ethanol;ethane has a molecular weight of 429.57 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(6,7-dimethoxyquinazolin-4-yl)-4,5,7,8-tetrahydro-1H-pyrido[4,3-c]pyridazin-3-yl]ethanol;ethane is sourced from PubChem (CID 143413852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).