N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide

C26H28N4O3 — CID 75490555

IUPACN-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide
SMILESCOc1ccc2[nH]c3c(c2c1)CCCC3NC(=O)Cc1nn(C(C)C)c(=O)c2ccccc12
InChIInChI=1S/C26H28N4O3/c1-15(2)30-26(32)19-8-5-4-7-17(19)23(29-30)14-24(31)27-22-10-6-9-18-20-13-16(33-3)11-12-21(20)28-25(18)22/h4-5,7-8,11-13,15,22,28H,6,9-10,14H2,1-3H3,(H,27,31)
InChIKeyXJROERXQFQXDLB-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.20
Rot. Bonds5

About N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide

N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide (PubChem CID 75490555) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide
PubChem CID75490555
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide
SMILESCOc1ccc2[nH]c3c(c2c1)CCCC3NC(=O)Cc1nn(C(C)C)c(=O)c2ccccc12
InChIInChI=1S/C26H28N4O3/c1-15(2)30-26(32)19-8-5-4-7-17(19)23(29-30)14-24(31)27-22-10-6-9-18-20-13-16(33-3)11-12-21(20)28-25(18)22/h4-5,7-8,11-13,15,22,28H,6,9-10,14H2,1-3H3,(H,27,31)
InChIKeyXJROERXQFQXDLB-UHFFFAOYSA-N
XLogP4.20
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-phenylacetamide
CID 97487908
N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide
CID 99995344
N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide
CID 97489146
N-[2-[[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]-2-oxoethyl]benzamide
CID 124877959
1-benzyl-3-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]urea
CID 125122907
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 75489861
3-(3,5-dimethylpyrazol-1-yl)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)propanamide
CID 110204955
(3R)-N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125124207
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indazole-3-carboxamide
CID 75490269
(2S)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 75492170
1-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(2-phenylethyl)urea
CID 125122227
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide
CID 110205464

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide?
The IUPAC name of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide (CID 75490555) is N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide.
What is the SMILES notation for N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide?
The canonical SMILES for N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide is COc1ccc2[nH]c3c(c2c1)CCCC3NC(=O)Cc1nn(C(C)C)c(=O)c2ccccc12.
What is the InChIKey of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide?
The InChIKey is XJROERXQFQXDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-15(2)30-26(32)19-8-5-4-7-17(19)23(29-30)14-24(31)27-22-10-6-9-18-20-13-16(33-3)11-12-21(20)28-25(18)22/h4-5,7-8,11-13,15,22,28H,6,9-10,14H2,1-3H3,(H,27,31).
What are the key properties of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide?
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide has a molecular weight of 444.54 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide is sourced from PubChem (CID 75490555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).