6-methoxy-N,1-dimethyl-4-phenyl-1H-phthalazine-2-carboxamide

C18H19N3O2 — CID 70062614

IUPAC6-methoxy-N,1-dimethyl-4-phenyl-1H-phthalazine-2-carboxamide
SMILESCNC(=O)N1N=C(c2ccccc2)c2cc(OC)ccc2C1C
InChIInChI=1S/C18H19N3O2/c1-12-15-10-9-14(23-3)11-16(15)17(13-7-5-4-6-8-13)20-21(12)18(22)19-2/h4-12H,1-3H3,(H,19,22)
InChIKeyKSNMGQLLYNWQQT-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.16
Rot. Bonds2

About 6-methoxy-N,1-dimethyl-4-phenyl-1H-phthalazine-2-carboxamide

6-methoxy-N,1-dimethyl-4-phenyl-1H-phthalazine-2-carboxamide (PubChem CID 70062614) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 6-methoxy-N,1-dimethyl-4-phenyl-1H-phthalazine-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N,1-dimethyl-4-phenyl-1H-phthalazine-2-carboxamide
PubChem CID70062614
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name6-methoxy-N,1-dimethyl-4-phenyl-1H-phthalazine-2-carboxamide
SMILESCNC(=O)N1N=C(c2ccccc2)c2cc(OC)ccc2C1C
InChIInChI=1S/C18H19N3O2/c1-12-15-10-9-14(23-3)11-16(15)17(13-7-5-4-6-8-13)20-21(12)18(22)19-2/h4-12H,1-3H3,(H,19,22)
InChIKeyKSNMGQLLYNWQQT-UHFFFAOYSA-N
XLogP3.16
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-6-methoxy-1-methyl-4-phenyl-1H-phthalazine-2-carboxamide
CID 70061794
1-(4-chlorophenyl)-8-methoxy-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 118237470
4-[(4R)-7,8-dimethoxy-4-methyl-3-(methylcarbamoyl)-4,5-dihydro-2,3-benzodiazepin-1-yl]benzoic acid
CID 145066683
4-[(4S)-7,8-dimethoxy-4-methyl-3-(methylcarbamoyl)-4,5-dihydro-2,3-benzodiazepin-1-yl]benzoic acid
CID 145066603
N,4-dimethyl-1-(4-methylphenyl)-8-[(6-methyl-2-pyridinyl)methoxy]-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 134249784
1-[4-[3-(cyclopropylcarbamoyl)phenyl]phenyl]-5,5-dimethoxy-N,4-dimethyl-4H-2,3-benzodiazepine-3-carboxamide
CID 140876455
1-[4-(2-fluoroanilino)phenyl]-7,8-dimethoxy-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 86582236
4-(4-acetamidophenyl)-N-ethyl-1-methyl-6-methylsulfanyl-1H-phthalazine-2-carboxamide
CID 12986173
7,8-dimethoxy-N,4-dimethyl-1-[4-(2-methyl-3-pyridinyl)phenyl]-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 118237517
(4S)-1-[4-(4-acetamidophenyl)sulfanylphenyl]-7,8-dimethoxy-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 145226670
2-(2,4-dimethoxyphenyl)-4,5-diphenyl-2H-imidazole
CID 173031658
1-[4-(3-fluoro-5-methylphenyl)phenyl]-7,8-dimethoxy-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 118237305

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N,1-dimethyl-4-phenyl-1H-phthalazine-2-carboxamide?
The IUPAC name of 6-methoxy-N,1-dimethyl-4-phenyl-1H-phthalazine-2-carboxamide (CID 70062614) is 6-methoxy-N,1-dimethyl-4-phenyl-1H-phthalazine-2-carboxamide.
What is the SMILES notation for 6-methoxy-N,1-dimethyl-4-phenyl-1H-phthalazine-2-carboxamide?
The canonical SMILES for 6-methoxy-N,1-dimethyl-4-phenyl-1H-phthalazine-2-carboxamide is CNC(=O)N1N=C(c2ccccc2)c2cc(OC)ccc2C1C.
What is the InChIKey of 6-methoxy-N,1-dimethyl-4-phenyl-1H-phthalazine-2-carboxamide?
The InChIKey is KSNMGQLLYNWQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-15-10-9-14(23-3)11-16(15)17(13-7-5-4-6-8-13)20-21(12)18(22)19-2/h4-12H,1-3H3,(H,19,22).
What are the key properties of 6-methoxy-N,1-dimethyl-4-phenyl-1H-phthalazine-2-carboxamide?
6-methoxy-N,1-dimethyl-4-phenyl-1H-phthalazine-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,1-dimethyl-4-phenyl-1H-phthalazine-2-carboxamide is sourced from PubChem (CID 70062614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).