3-methyl-4-oxo-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]phthalazine-1-carboxamide

C22H20N4O2 — CID 99755073

IUPAC3-methyl-4-oxo-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]phthalazine-1-carboxamide
SMILESCn1nc(C(=O)N[C@@H]2CCCc3c2[nH]c2ccccc32)c2ccccc2c1=O
InChIInChI=1S/C22H20N4O2/c1-26-22(28)16-9-3-2-8-15(16)20(25-26)21(27)24-18-12-6-10-14-13-7-4-5-11-17(13)23-19(14)18/h2-5,7-9,11,18,23H,6,10,12H2,1H3,(H,24,27)/t18-/m1/s1
InChIKeyZYBAHGAULFDRSI-GOSISDBHSA-N
MW372.43 g/mol
LogP3.22
Rot. Bonds2

About 3-methyl-4-oxo-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]phthalazine-1-carboxamide

3-methyl-4-oxo-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]phthalazine-1-carboxamide (PubChem CID 99755073) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]phthalazine-1-carboxamide
PubChem CID99755073
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name3-methyl-4-oxo-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]phthalazine-1-carboxamide
SMILESCn1nc(C(=O)N[C@@H]2CCCc3c2[nH]c2ccccc32)c2ccccc2c1=O
InChIInChI=1S/C22H20N4O2/c1-26-22(28)16-9-3-2-8-15(16)20(25-26)21(27)24-18-12-6-10-14-13-7-4-5-11-17(13)23-19(14)18/h2-5,7-9,11,18,23H,6,10,12H2,1H3,(H,24,27)/t18-/m1/s1
InChIKeyZYBAHGAULFDRSI-GOSISDBHSA-N
XLogP3.22
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide
CID 2677362
N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 97496950
1-methyl-2-oxo-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)quinoline-4-carboxamide
CID 75489945
N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]cyclopropanecarboxamide
CID 124879022
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 71827376
N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-4-carboxamide
CID 110207920
N-(4-hydroxycyclohexyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2677364
2-methyl-4-[1-(2-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl]phthalazin-1-one
CID 45169883
2-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 124604925
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indazole-3-carboxamide
CID 75490269
N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-(tetrazol-1-yl)butanamide
CID 125431910
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 94026332

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]phthalazine-1-carboxamide?
The IUPAC name of 3-methyl-4-oxo-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]phthalazine-1-carboxamide (CID 99755073) is 3-methyl-4-oxo-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]phthalazine-1-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]phthalazine-1-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]phthalazine-1-carboxamide is Cn1nc(C(=O)N[C@@H]2CCCc3c2[nH]c2ccccc32)c2ccccc2c1=O.
What is the InChIKey of 3-methyl-4-oxo-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]phthalazine-1-carboxamide?
The InChIKey is ZYBAHGAULFDRSI-GOSISDBHSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-26-22(28)16-9-3-2-8-15(16)20(25-26)21(27)24-18-12-6-10-14-13-7-4-5-11-17(13)23-19(14)18/h2-5,7-9,11,18,23H,6,10,12H2,1H3,(H,24,27)/t18-/m1/s1.
What are the key properties of 3-methyl-4-oxo-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]phthalazine-1-carboxamide?
3-methyl-4-oxo-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]phthalazine-1-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]phthalazine-1-carboxamide is sourced from PubChem (CID 99755073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).