6-methoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-indole-2-carboxamide

C20H18N4O3 — CID 71779476

IUPAC6-methoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3nn(C)c(=O)c4ccccc34)[nH]c2c1
InChIInChI=1S/C20H18N4O3/c1-24-20(26)15-6-4-3-5-14(15)18(23-24)11-21-19(25)17-9-12-7-8-13(27-2)10-16(12)22-17/h3-10,22H,11H2,1-2H3,(H,21,25)
InChIKeyBUHRXBNIHVAVOK-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.35
Rot. Bonds4

About 6-methoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-indole-2-carboxamide

6-methoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 71779476) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 6-methoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-indole-2-carboxamide
PubChem CID71779476
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name6-methoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3nn(C)c(=O)c4ccccc34)[nH]c2c1
InChIInChI=1S/C20H18N4O3/c1-24-20(26)15-6-4-3-5-14(15)18(23-24)11-21-19(25)17-9-12-7-8-13(27-2)10-16(12)22-17/h3-10,22H,11H2,1-2H3,(H,21,25)
InChIKeyBUHRXBNIHVAVOK-UHFFFAOYSA-N
XLogP2.35
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methyl-4-oxophthalazin-1-yl)methyl]naphthalene-2-carboxamide
CID 90489965
3-(2-methoxyphenyl)-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-pyrazole-5-carboxamide
CID 90490047
6-methoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55694524
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-naphthalen-2-yloxyacetamide
CID 90489974
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 38420989
N-(2-benzamidoethyl)-6-methoxy-1H-indole-2-carboxamide
CID 134003045
6-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1H-indole-2-carboxamide
CID 119105613
6-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-1H-indole-2-carboxamide
CID 122162306
N-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]-1H-indole-2-carboxamide
CID 90490374
2,3-dimethoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489934
N-[[4-(1-hydroxyethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 75417280
3,5-dimethyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489923

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-methoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-indole-2-carboxamide (CID 71779476) is 6-methoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-methoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)NCc3nn(C)c(=O)c4ccccc34)[nH]c2c1.
What is the InChIKey of 6-methoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is BUHRXBNIHVAVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-24-20(26)15-6-4-3-5-14(15)18(23-24)11-21-19(25)17-9-12-7-8-13(27-2)10-16(12)22-17/h3-10,22H,11H2,1-2H3,(H,21,25).
What are the key properties of 6-methoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-indole-2-carboxamide?
6-methoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 71779476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).