2-[2-(diethylamino)ethoxy]-7-methoxypyridazino[6,1-b]quinazolin-10-one

C18H22N4O3 — CID 3305931

IUPAC2-[2-(diethylamino)ethoxy]-7-methoxypyridazino[6,1-b]quinazolin-10-one
SMILESCCN(CC)CCOc1ccc2nc3cc(OC)ccc3c(=O)n2n1
InChIInChI=1S/C18H22N4O3/c1-4-21(5-2)10-11-25-17-9-8-16-19-15-12-13(24-3)6-7-14(15)18(23)22(16)20-17/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyIOARVVZNDSADRA-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.97
Rot. Bonds7

About 2-[2-(diethylamino)ethoxy]-7-methoxypyridazino[6,1-b]quinazolin-10-one

2-[2-(diethylamino)ethoxy]-7-methoxypyridazino[6,1-b]quinazolin-10-one (PubChem CID 3305931) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethoxy]-7-methoxypyridazino[6,1-b]quinazolin-10-one.

Molecular Properties

Compound Name2-[2-(diethylamino)ethoxy]-7-methoxypyridazino[6,1-b]quinazolin-10-one
PubChem CID3305931
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2-[2-(diethylamino)ethoxy]-7-methoxypyridazino[6,1-b]quinazolin-10-one
SMILESCCN(CC)CCOc1ccc2nc3cc(OC)ccc3c(=O)n2n1
InChIInChI=1S/C18H22N4O3/c1-4-21(5-2)10-11-25-17-9-8-16-19-15-12-13(24-3)6-7-14(15)18(23)22(16)20-17/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyIOARVVZNDSADRA-UHFFFAOYSA-N
XLogP1.97
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(dimethylamino)ethoxy]-7-methoxy-3H-quinazolin-4-one
CID 154382532
1-[2-[2-(diethylamino)ethoxy]-4-methoxyphenyl]ethanone
CID 82002145
6-[2-(diethylamino)ethoxy]-2,9-dimethoxyindeno[1,2-c]quinolin-11-one
CID 54673453
7-[2-(diethylamino)ethoxy]-4-hydroxy-3-(4-methoxyphenyl)chromen-2-one
CID 141398776
2-(7-chloro-4-methylquinolin-2-yl)oxy-N,N-diethylethanamine
CID 154130691
2-[2-(aminomethyl)-4-methoxyphenoxy]-N,N-diethylethanamine
CID 43268159
[2-[2-(diethylamino)ethoxy]-5-methoxyphenyl]methanol
CID 43267964
2-(3-methoxy-11-oxopyrido[2,1-b]quinazolin-8-yl)acetic acid
CID 20525674
4-[2-(diethylamino)ethoxy]-6-methoxy-1-methylnaphthalene-2-carboxylic acid
CID 54265250
2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;platinum(4+);tetrachloride
CID 173439217
2-amino-7-methoxy-3-methylquinazolin-4-one
CID 84778294
N,N-diethyl-2-[4-[2-[4-(4-methoxyphenyl)phenyl]ethynyl]phenoxy]ethanamine
CID 122184570

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethoxy]-7-methoxypyridazino[6,1-b]quinazolin-10-one?
The IUPAC name of 2-[2-(diethylamino)ethoxy]-7-methoxypyridazino[6,1-b]quinazolin-10-one (CID 3305931) is 2-[2-(diethylamino)ethoxy]-7-methoxypyridazino[6,1-b]quinazolin-10-one.
What is the SMILES notation for 2-[2-(diethylamino)ethoxy]-7-methoxypyridazino[6,1-b]quinazolin-10-one?
The canonical SMILES for 2-[2-(diethylamino)ethoxy]-7-methoxypyridazino[6,1-b]quinazolin-10-one is CCN(CC)CCOc1ccc2nc3cc(OC)ccc3c(=O)n2n1.
What is the InChIKey of 2-[2-(diethylamino)ethoxy]-7-methoxypyridazino[6,1-b]quinazolin-10-one?
The InChIKey is IOARVVZNDSADRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-4-21(5-2)10-11-25-17-9-8-16-19-15-12-13(24-3)6-7-14(15)18(23)22(16)20-17/h6-9,12H,4-5,10-11H2,1-3H3.
What are the key properties of 2-[2-(diethylamino)ethoxy]-7-methoxypyridazino[6,1-b]quinazolin-10-one?
2-[2-(diethylamino)ethoxy]-7-methoxypyridazino[6,1-b]quinazolin-10-one has a molecular weight of 342.40 g/mol, XLogP of 1.97, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethoxy]-7-methoxypyridazino[6,1-b]quinazolin-10-one is sourced from PubChem (CID 3305931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).