3-methyl-2-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]quinazolin-4-one

C19H21N5O2 — CID 126934525

IUPAC3-methyl-2-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]quinazolin-4-one
SMILESCn1c(NC2CCC(n3ncccc3=O)CC2)nc2ccccc2c1=O
InChIInChI=1S/C19H21N5O2/c1-23-18(26)15-5-2-3-6-16(15)22-19(23)21-13-8-10-14(11-9-13)24-17(25)7-4-12-20-24/h2-7,12-14H,8-11H2,1H3,(H,21,22)
InChIKeyQNZXOWAHQXGYDH-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.09
Rot. Bonds3

About 3-methyl-2-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]quinazolin-4-one

3-methyl-2-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]quinazolin-4-one (PubChem CID 126934525) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-methyl-2-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]quinazolin-4-one
PubChem CID126934525
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name3-methyl-2-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]quinazolin-4-one
SMILESCn1c(NC2CCC(n3ncccc3=O)CC2)nc2ccccc2c1=O
InChIInChI=1S/C19H21N5O2/c1-23-18(26)15-5-2-3-6-16(15)22-19(23)21-13-8-10-14(11-9-13)24-17(25)7-4-12-20-24/h2-7,12-14H,8-11H2,1H3,(H,21,22)
InChIKeyQNZXOWAHQXGYDH-UHFFFAOYSA-N
XLogP2.09
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-methyl-2-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]quinazolin-4-one with MolForge

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Related Compounds

2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridazin-3-one
CID 126934355
3-methyl-2-[[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]amino]pyrido[3,4-d]pyrimidin-4-one
CID 126934890
2-[4-[(4-methylphthalazin-1-yl)amino]cyclohexyl]pyridazin-3-one
CID 126934424
2-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one
CID 126934386
2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126934365
N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrrolidine-1-sulfonamide
CID 126934326
2-[4-[(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one
CID 126934530
6-[[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]amino]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one
CID 126935236
2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]pyridazin-3-one
CID 126934512
2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one
CID 126934368
6-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]pyridine-3-carbonitrile
CID 126934338
2-[4-(1-pyridin-3-ylethylamino)cyclohexyl]pyridazin-3-one
CID 126934421

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]quinazolin-4-one?
The IUPAC name of 3-methyl-2-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]quinazolin-4-one (CID 126934525) is 3-methyl-2-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]quinazolin-4-one.
What is the SMILES notation for 3-methyl-2-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]quinazolin-4-one?
The canonical SMILES for 3-methyl-2-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]quinazolin-4-one is Cn1c(NC2CCC(n3ncccc3=O)CC2)nc2ccccc2c1=O.
What is the InChIKey of 3-methyl-2-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]quinazolin-4-one?
The InChIKey is QNZXOWAHQXGYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-23-18(26)15-5-2-3-6-16(15)22-19(23)21-13-8-10-14(11-9-13)24-17(25)7-4-12-20-24/h2-7,12-14H,8-11H2,1H3,(H,21,22).
What are the key properties of 3-methyl-2-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]quinazolin-4-one?
3-methyl-2-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]quinazolin-4-one has a molecular weight of 351.41 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]quinazolin-4-one is sourced from PubChem (CID 126934525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).