N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxo-3H-phthalazine-1-carboxamide

C20H19N3O2 — CID 154842859

IUPACN-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCc1cccc2c1CCCC2NC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C20H19N3O2/c1-12-6-4-10-14-13(12)9-5-11-17(14)21-20(25)18-15-7-2-3-8-16(15)19(24)23-22-18/h2-4,6-8,10,17H,5,9,11H2,1H3,(H,21,25)(H,23,24)
InChIKeyQGXYQFJNUVDCKT-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.04
Rot. Bonds2

About N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxo-3H-phthalazine-1-carboxamide

N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 154842859) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID154842859
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCc1cccc2c1CCCC2NC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C20H19N3O2/c1-12-6-4-10-14-13(12)9-5-11-17(14)21-20(25)18-15-7-2-3-8-16(15)19(24)23-22-18/h2-4,6-8,10,17H,5,9,11H2,1H3,(H,21,25)(H,23,24)
InChIKeyQGXYQFJNUVDCKT-UHFFFAOYSA-N
XLogP3.04
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3H-phthalazine-1-carboxamide
CID 2374073
4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-phthalazine-1-carboxamide
CID 5094185
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-4-oxo-3H-phthalazine-1-carboxamide
CID 27856338
N-[(1S,2R)-2-methylcyclopentyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 95386223
5-(1-methylcyclopropyl)-N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-3-carboxamide
CID 166375792
N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464353
N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-oxo-3H-phthalazine-1-carboxamide
CID 29184538
N-cyclopentyloxy-4-oxo-3H-phthalazine-1-carboxamide
CID 83202693
N-(cyclooctylideneamino)-4-oxo-3H-phthalazine-1-carboxamide
CID 9177041
N-(1-cyclopropylethyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43400571
N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 131902037
N-(2-methyl-3-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 79042904

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxo-3H-phthalazine-1-carboxamide (CID 154842859) is N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxo-3H-phthalazine-1-carboxamide is Cc1cccc2c1CCCC2NC(=O)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is QGXYQFJNUVDCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-12-6-4-10-14-13(12)9-5-11-17(14)21-20(25)18-15-7-2-3-8-16(15)19(24)23-22-18/h2-4,6-8,10,17H,5,9,11H2,1H3,(H,21,25)(H,23,24).
What are the key properties of N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxo-3H-phthalazine-1-carboxamide?
N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 154842859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).