N-(4-hydroxycyclohexyl)-3-methyl-4-oxophthalazine-1-carboxamide

C16H19N3O3 — CID 2677364

IUPACN-(4-hydroxycyclohexyl)-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCn1nc(C(=O)NC2CCC(O)CC2)c2ccccc2c1=O
InChIInChI=1S/C16H19N3O3/c1-19-16(22)13-5-3-2-4-12(13)14(18-19)15(21)17-10-6-8-11(20)9-7-10/h2-5,10-11,20H,6-9H2,1H3,(H,17,21)
InChIKeyMPORRGZKFZWPGG-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.97
Rot. Bonds2

About N-(4-hydroxycyclohexyl)-3-methyl-4-oxophthalazine-1-carboxamide

N-(4-hydroxycyclohexyl)-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 2677364) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID2677364
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-(4-hydroxycyclohexyl)-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCn1nc(C(=O)NC2CCC(O)CC2)c2ccccc2c1=O
InChIInChI=1S/C16H19N3O3/c1-19-16(22)13-5-3-2-4-12(13)14(18-19)15(21)17-10-6-8-11(20)9-7-10/h2-5,10-11,20H,6-9H2,1H3,(H,17,21)
InChIKeyMPORRGZKFZWPGG-UHFFFAOYSA-N
XLogP0.97
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-oxo-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide
CID 9264807
1-methyl-N-(4-oxocyclohexyl)indazole-3-carboxamide
CID 103118179
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 94026332
3-methyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide
CID 2677362
3-methyl-4-oxo-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]phthalazine-1-carboxamide
CID 99755073
3-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-oxophthalazine-1-carboxamide
CID 24790624
3-methyl-4-oxo-N-prop-2-enylphthalazine-1-carboxamide
CID 2449801
4-oxo-3-phenyl-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide
CID 9264776
3-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]phthalazine-1-carboxamide
CID 9163172
N'-(2,2-dichlorocyclopropanecarbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 24654572
3-methyl-4-oxo-N-(3-pyridin-2-yloxyoxan-4-yl)phthalazine-1-carboxamide
CID 156608868
4-amino-N-(4-hydroxycyclohexyl)-1-methylpyrazole-3-carboxamide
CID 65354699

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-3-methyl-4-oxophthalazine-1-carboxamide (CID 2677364) is N-(4-hydroxycyclohexyl)-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-3-methyl-4-oxophthalazine-1-carboxamide is Cn1nc(C(=O)NC2CCC(O)CC2)c2ccccc2c1=O.
What is the InChIKey of N-(4-hydroxycyclohexyl)-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is MPORRGZKFZWPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-19-16(22)13-5-3-2-4-12(13)14(18-19)15(21)17-10-6-8-11(20)9-7-10/h2-5,10-11,20H,6-9H2,1H3,(H,17,21).
What are the key properties of N-(4-hydroxycyclohexyl)-3-methyl-4-oxophthalazine-1-carboxamide?
N-(4-hydroxycyclohexyl)-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 2677364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).