5-[[(7-chloroquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one

C17H18ClN5O — CID 133367409

IUPAC5-[[(7-chloroquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one
SMILESCCc1n[nH]c(=O)c(CNc2ncnc3cc(Cl)ccc23)c1CC
InChIInChI=1S/C17H18ClN5O/c1-3-11-13(17(24)23-22-14(11)4-2)8-19-16-12-6-5-10(18)7-15(12)20-9-21-16/h5-7,9H,3-4,8H2,1-2H3,(H,23,24)(H,19,20,21)
InChIKeyUVSBIRZHPOYDML-UHFFFAOYSA-N
MW343.82 g/mol
LogP3.10
Rot. Bonds5

About 5-[[(7-chloroquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one

5-[[(7-chloroquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one (PubChem CID 133367409) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is 5-[[(7-chloroquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-[[(7-chloroquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one
PubChem CID133367409
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC Name5-[[(7-chloroquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one
SMILESCCc1n[nH]c(=O)c(CNc2ncnc3cc(Cl)ccc23)c1CC
InChIInChI=1S/C17H18ClN5O/c1-3-11-13(17(24)23-22-14(11)4-2)8-19-16-12-6-5-10(18)7-15(12)20-9-21-16/h5-7,9H,3-4,8H2,1-2H3,(H,23,24)(H,19,20,21)
InChIKeyUVSBIRZHPOYDML-UHFFFAOYSA-N
XLogP3.10
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[(7-chloroquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one with MolForge

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Related Compounds

5-[[(6-bromoquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one
CID 133367412
3,4-diethyl-5-[[(6-fluoroquinazolin-4-yl)amino]methyl]-1H-pyridazin-6-one
CID 133443469
7-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine
CID 86809014
7-chloro-N-[(2,4-dichlorophenyl)methyl]quinazolin-4-amine
CID 1490538
5-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one
CID 133367427
N-[(4-chlorophenyl)methyl]-6-ethylquinazolin-4-amine
CID 21002588
[4-[[(7-chloroquinazolin-4-yl)amino]methyl]phenyl]urea
CID 86917015
3-[5-[(7-chloroquinazolin-4-yl)amino]pentyl]imidazolidine-2,4-dione
CID 167200226
[4-[[(7-chloroquinazolin-4-yl)amino]methyl]phenyl]boronic acid;formic acid
CID 158510752
7-chloro-N-(3-methylbutyl)quinazolin-4-amine;ethane
CID 156733545
ethyl 3-[(7-chloroquinazolin-4-yl)amino]propanoate
CID 51126402
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-[[(7-chloroquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one?
The IUPAC name of 5-[[(7-chloroquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one (CID 133367409) is 5-[[(7-chloroquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-[[(7-chloroquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one?
The canonical SMILES for 5-[[(7-chloroquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one is CCc1n[nH]c(=O)c(CNc2ncnc3cc(Cl)ccc23)c1CC.
What is the InChIKey of 5-[[(7-chloroquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one?
The InChIKey is UVSBIRZHPOYDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-3-11-13(17(24)23-22-14(11)4-2)8-19-16-12-6-5-10(18)7-15(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-[[(7-chloroquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one?
5-[[(7-chloroquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one has a molecular weight of 343.82 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(7-chloroquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one is sourced from PubChem (CID 133367409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).