N-[2-(1H-indol-3-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide

C19H16N4O2 — CID 17418655

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C19H16N4O2/c24-18-15-7-2-1-6-14(15)17(22-23-18)19(25)20-10-9-12-11-21-16-8-4-3-5-13(12)16/h1-8,11,21H,9-10H2,(H,20,25)(H,23,24)
InChIKeyZTFSQZIWZPTIKH-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.38
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 17418655) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID17418655
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C19H16N4O2/c24-18-15-7-2-1-6-14(15)17(22-23-18)19(25)20-10-9-12-11-21-16-8-4-3-5-13(12)16/h1-8,11,21H,9-10H2,(H,20,25)(H,23,24)
InChIKeyZTFSQZIWZPTIKH-UHFFFAOYSA-N
XLogP2.38
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide
CID 110702006
N-[2-(1H-indol-3-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 2450567
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
3-amino-N-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62794556
N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide
CID 45497188
N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 115619996
N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 51210971
3-bromo-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 107518048
N-[2-(1H-indol-3-yl)ethyl]-2-(2H-tetrazol-5-yl)acetamide
CID 110499402
N-[2-(1H-indol-3-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 18532713
N-[2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849781
N-[2-(1H-indol-3-yl)ethyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 78767432

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide (CID 17418655) is N-[2-(1H-indol-3-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is ZTFSQZIWZPTIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c24-18-15-7-2-1-6-14(15)17(22-23-18)19(25)20-10-9-12-11-21-16-8-4-3-5-13(12)16/h1-8,11,21H,9-10H2,(H,20,25)(H,23,24).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 17418655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).