3,4-diethyl-5-[[(6-fluoroquinazolin-4-yl)amino]methyl]-1H-pyridazin-6-one

C17H18FN5O — CID 133443469

IUPAC3,4-diethyl-5-[[(6-fluoroquinazolin-4-yl)amino]methyl]-1H-pyridazin-6-one
SMILESCCc1n[nH]c(=O)c(CNc2ncnc3ccc(F)cc23)c1CC
InChIInChI=1S/C17H18FN5O/c1-3-11-13(17(24)23-22-14(11)4-2)8-19-16-12-7-10(18)5-6-15(12)20-9-21-16/h5-7,9H,3-4,8H2,1-2H3,(H,23,24)(H,19,20,21)
InChIKeyWPYPZMDWHNXQIZ-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.59
Rot. Bonds5

About 3,4-diethyl-5-[[(6-fluoroquinazolin-4-yl)amino]methyl]-1H-pyridazin-6-one

3,4-diethyl-5-[[(6-fluoroquinazolin-4-yl)amino]methyl]-1H-pyridazin-6-one (PubChem CID 133443469) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is 3,4-diethyl-5-[[(6-fluoroquinazolin-4-yl)amino]methyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3,4-diethyl-5-[[(6-fluoroquinazolin-4-yl)amino]methyl]-1H-pyridazin-6-one
PubChem CID133443469
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name3,4-diethyl-5-[[(6-fluoroquinazolin-4-yl)amino]methyl]-1H-pyridazin-6-one
SMILESCCc1n[nH]c(=O)c(CNc2ncnc3ccc(F)cc23)c1CC
InChIInChI=1S/C17H18FN5O/c1-3-11-13(17(24)23-22-14(11)4-2)8-19-16-12-7-10(18)5-6-15(12)20-9-21-16/h5-7,9H,3-4,8H2,1-2H3,(H,23,24)(H,19,20,21)
InChIKeyWPYPZMDWHNXQIZ-UHFFFAOYSA-N
XLogP2.59
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(6-bromoquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one
CID 133367412
5-[[(7-chloroquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one
CID 133367409
N-[(4-bromophenyl)methyl]-6-fluoroquinazolin-4-amine
CID 133292923
N-[(4-fluorophenyl)methyl]-6-methylsulfonylquinazolin-4-amine
CID 119045565
6-ethyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 21002595
N-[(3-chlorophenyl)methyl]-6-fluoroquinazolin-4-amine
CID 78901321
3,4-diethyl-5-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-1H-pyridazin-6-one
CID 133367460
2-[(6-fluoroquinazolin-4-yl)amino]-N-propylacetamide
CID 133383092
N-[(4-chlorophenyl)methyl]-6-ethylquinazolin-4-amine
CID 21002588
N-(1,3-benzothiazol-5-ylmethyl)-6-fluoroquinazolin-4-amine
CID 51037841
6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine
CID 171352860
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-fluoroquinazolin-4-amine
CID 78901330

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-5-[[(6-fluoroquinazolin-4-yl)amino]methyl]-1H-pyridazin-6-one?
The IUPAC name of 3,4-diethyl-5-[[(6-fluoroquinazolin-4-yl)amino]methyl]-1H-pyridazin-6-one (CID 133443469) is 3,4-diethyl-5-[[(6-fluoroquinazolin-4-yl)amino]methyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3,4-diethyl-5-[[(6-fluoroquinazolin-4-yl)amino]methyl]-1H-pyridazin-6-one?
The canonical SMILES for 3,4-diethyl-5-[[(6-fluoroquinazolin-4-yl)amino]methyl]-1H-pyridazin-6-one is CCc1n[nH]c(=O)c(CNc2ncnc3ccc(F)cc23)c1CC.
What is the InChIKey of 3,4-diethyl-5-[[(6-fluoroquinazolin-4-yl)amino]methyl]-1H-pyridazin-6-one?
The InChIKey is WPYPZMDWHNXQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c1-3-11-13(17(24)23-22-14(11)4-2)8-19-16-12-7-10(18)5-6-15(12)20-9-21-16/h5-7,9H,3-4,8H2,1-2H3,(H,23,24)(H,19,20,21).
What are the key properties of 3,4-diethyl-5-[[(6-fluoroquinazolin-4-yl)amino]methyl]-1H-pyridazin-6-one?
3,4-diethyl-5-[[(6-fluoroquinazolin-4-yl)amino]methyl]-1H-pyridazin-6-one has a molecular weight of 327.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-5-[[(6-fluoroquinazolin-4-yl)amino]methyl]-1H-pyridazin-6-one is sourced from PubChem (CID 133443469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).