1-cyclohexyl-3-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]urea

C24H28N4O2 — CID 5196499

IUPAC1-cyclohexyl-3-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]urea
SMILESCc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)NC1CCCCC1
InChIInChI=1S/C24H28N4O2/c1-16-12-13-17(22-20-10-6-7-11-21(20)23(29)28(2)27-22)14-18(16)15-25-24(30)26-19-8-4-3-5-9-19/h6-7,10-14,19H,3-5,8-9,15H2,1-2H3,(H2,25,26,30)
InChIKeyWETWLNCMZXQTTQ-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.04
Rot. Bonds4

About 1-cyclohexyl-3-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]urea

1-cyclohexyl-3-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]urea (PubChem CID 5196499) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 1-cyclohexyl-3-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]urea
PubChem CID5196499
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name1-cyclohexyl-3-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]urea
SMILESCc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)NC1CCCCC1
InChIInChI=1S/C24H28N4O2/c1-16-12-13-17(22-20-10-6-7-11-21(20)23(29)28(2)27-22)14-18(16)15-25-24(30)26-19-8-4-3-5-9-19/h6-7,10-14,19H,3-5,8-9,15H2,1-2H3,(H2,25,26,30)
InChIKeyWETWLNCMZXQTTQ-UHFFFAOYSA-N
XLogP4.04
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexyl-3-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]urea with MolForge

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Related Compounds

4-((4-Fluoro-3-(piperazine-1-carbonyl)phenyl)methyl)-1,2-dihydrophthalazin-1-one
CID 11726399
4-({3-[(4-Methylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133630
4-[[3-(Piperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
CID 25132612
N,N-dimethyl-4-(4-oxo-3H-phthalazin-1-yl)benzamide
CID 738018
3-(2,5-difluorophenyl)-N-ethyl-5-phenyl-5-[4-(phenylformamido)butyl]-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 24901506
N-(4,4-dimethylpentyl)-2-fluoro-4-methyl-5-(2-methyl-1-oxophthalazin-6-yl)benzamide
CID 162643602
N-methyl-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 714735
2-Methyl-4-[4-methyl-3-(piperidin-1-ylmethyl)phenyl]phthalazin-1-one
CID 752670
3-[4-(4-methylphenyl)-1-oxophthalazin-2(1H)-yl]propanamide
CID 752678
N-cyclohexyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
CID 1290998
2-(3-butyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(2-(diethylamino)ethyl)acetamide
CID 1827716
3-(1-oxo-4-phenylphthalazin-2(1H)-yl)-N-propylpropanamide
CID 1884678

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]urea (CID 5196499) is 1-cyclohexyl-3-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]urea is Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]urea?
The InChIKey is WETWLNCMZXQTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-16-12-13-17(22-20-10-6-7-11-21(20)23(29)28(2)27-22)14-18(16)15-25-24(30)26-19-8-4-3-5-9-19/h6-7,10-14,19H,3-5,8-9,15H2,1-2H3,(H2,25,26,30).
What are the key properties of 1-cyclohexyl-3-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]urea?
1-cyclohexyl-3-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]urea has a molecular weight of 404.51 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]urea is sourced from PubChem (CID 5196499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).