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

C17H18BrN5O — CID 133367412

IUPAC5-[[(6-bromoquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one
SMILESCCc1n[nH]c(=O)c(CNc2ncnc3ccc(Br)cc23)c1CC
InChIInChI=1S/C17H18BrN5O/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)
InChIKeyAHJCYGIPKJRORS-UHFFFAOYSA-N
MW388.27 g/mol
LogP3.21
Rot. Bonds5

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

5-[[(6-bromoquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one (PubChem CID 133367412) has the molecular formula C17H18BrN5O and a molecular weight of 388.27 g/mol. Its IUPAC name is 5-[[(6-bromoquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-[[(6-bromoquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one
PubChem CID133367412
Molecular FormulaC17H18BrN5O
Molecular Weight388.27 g/mol
Exact Mass387.07
IUPAC Name5-[[(6-bromoquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one
SMILESCCc1n[nH]c(=O)c(CNc2ncnc3ccc(Br)cc23)c1CC
InChIInChI=1S/C17H18BrN5O/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)
InChIKeyAHJCYGIPKJRORS-UHFFFAOYSA-N
XLogP3.21
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-diethyl-5-[[(6-fluoroquinazolin-4-yl)amino]methyl]-1H-pyridazin-6-one
CID 133443469
5-[[(7-chloroquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one
CID 133367409
6-bromo-N-(2-methyl-2-methylsulfanylpropyl)quinazolin-4-amine
CID 133327454
6-bromo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinazolin-4-amine
CID 110431581
6-ethyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 21002595
6-bromo-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 21002502
6-bromo-N-[(3,5-difluoro-2-pyridinyl)methyl]quinazolin-4-amine
CID 155340154
6-bromo-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinazolin-4-amine
CID 133342144
6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine
CID 87021045
2-[(6-bromoquinazolin-4-yl)amino]acetic acid;hydrochloride
CID 18590558
N-[(4-chlorophenyl)methyl]-6-ethylquinazolin-4-amine
CID 21002588
3,4-diethyl-5-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-1H-pyridazin-6-one
CID 133367460

Frequently Asked Questions

What is the IUPAC name of 5-[[(6-bromoquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one?
The IUPAC name of 5-[[(6-bromoquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one (CID 133367412) is 5-[[(6-bromoquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-[[(6-bromoquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one?
The canonical SMILES for 5-[[(6-bromoquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one is CCc1n[nH]c(=O)c(CNc2ncnc3ccc(Br)cc23)c1CC.
What is the InChIKey of 5-[[(6-bromoquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one?
The InChIKey is AHJCYGIPKJRORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN5O/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 5-[[(6-bromoquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one?
5-[[(6-bromoquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one has a molecular weight of 388.27 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(6-bromoquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one is sourced from PubChem (CID 133367412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).