3-ethyl-N-methyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide

C22H23N3O2 — CID 41139254

IUPAC3-ethyl-N-methyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide
SMILESCCn1nc(C(=O)N(C)[C@@H]2CCCc3ccccc32)c2ccccc2c1=O
InChIInChI=1S/C22H23N3O2/c1-3-25-21(26)18-13-7-6-12-17(18)20(23-25)22(27)24(2)19-14-8-10-15-9-4-5-11-16(15)19/h4-7,9,11-13,19H,3,8,10,14H2,1-2H3/t19-/m1/s1
InChIKeyGFUDHALXOUPAKU-LJQANCHMSA-N
MW361.45 g/mol
LogP3.57
Rot. Bonds3

About 3-ethyl-N-methyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide

3-ethyl-N-methyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide (PubChem CID 41139254) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-ethyl-N-methyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-methyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide
PubChem CID41139254
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name3-ethyl-N-methyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide
SMILESCCn1nc(C(=O)N(C)[C@@H]2CCCc3ccccc32)c2ccccc2c1=O
InChIInChI=1S/C22H23N3O2/c1-3-25-21(26)18-13-7-6-12-17(18)20(23-25)22(27)24(2)19-14-8-10-15-9-4-5-11-16(15)19/h4-7,9,11-13,19H,3,8,10,14H2,1-2H3/t19-/m1/s1
InChIKeyGFUDHALXOUPAKU-LJQANCHMSA-N
XLogP3.57
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-N-methyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide with MolForge

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Related Compounds

3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]methyl]-N-methyl-4-oxophthalazine-1-carboxamide
CID 30598182
N,3-dimethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-7-carboxamide
CID 70780313
N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 42916496
3-chloro-N,6-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 97124608
N,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 134791703
N,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42884040
N,2-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 96576738
4-(azetidine-1-carbonyl)-2-ethylphthalazin-1-one
CID 26925219
3-benzyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide
CID 2472792
2-ethyl-N-(2-hydroxyethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 51594713
4-oxo-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phthalazine-1-carboxylate
CID 2390539
N,6-dimethyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide
CID 86768777

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide?
The IUPAC name of 3-ethyl-N-methyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide (CID 41139254) is 3-ethyl-N-methyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide.
What is the SMILES notation for 3-ethyl-N-methyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide?
The canonical SMILES for 3-ethyl-N-methyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide is CCn1nc(C(=O)N(C)[C@@H]2CCCc3ccccc32)c2ccccc2c1=O.
What is the InChIKey of 3-ethyl-N-methyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide?
The InChIKey is GFUDHALXOUPAKU-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-3-25-21(26)18-13-7-6-12-17(18)20(23-25)22(27)24(2)19-14-8-10-15-9-4-5-11-16(15)19/h4-7,9,11-13,19H,3,8,10,14H2,1-2H3/t19-/m1/s1.
What are the key properties of 3-ethyl-N-methyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide?
3-ethyl-N-methyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide is sourced from PubChem (CID 41139254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).