N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxo-3H-phthalazine-1-carboxamide

C19H20N4O3 — CID 4869738

IUPACN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESO=C(NCC(c1ccco1)N1CCCC1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C19H20N4O3/c24-18-14-7-2-1-6-13(14)17(21-22-18)19(25)20-12-15(16-8-5-11-26-16)23-9-3-4-10-23/h1-2,5-8,11,15H,3-4,9-10,12H2,(H,20,25)(H,22,24)
InChIKeyMSYJJPJSWQETJV-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.08
Rot. Bonds5

About N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxo-3H-phthalazine-1-carboxamide

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 4869738) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID4869738
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESO=C(NCC(c1ccco1)N1CCCC1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C19H20N4O3/c24-18-14-7-2-1-6-13(14)17(21-22-18)19(25)20-12-15(16-8-5-11-26-16)23-9-3-4-10-23/h1-2,5-8,11,15H,3-4,9-10,12H2,(H,20,25)(H,22,24)
InChIKeyMSYJJPJSWQETJV-UHFFFAOYSA-N
XLogP2.08
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 26834307
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 30591769
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-oxo-1H-quinoline-4-carboxamide
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N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 43842816
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
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2-fluoro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834331
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 4883742
2-cyclopropyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]quinoline-4-carboxamide
CID 17430843

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxo-3H-phthalazine-1-carboxamide (CID 4869738) is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxo-3H-phthalazine-1-carboxamide is O=C(NCC(c1ccco1)N1CCCC1)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is MSYJJPJSWQETJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-18-14-7-2-1-6-13(14)17(21-22-18)19(25)20-12-15(16-8-5-11-26-16)23-9-3-4-10-23/h1-2,5-8,11,15H,3-4,9-10,12H2,(H,20,25)(H,22,24).
What are the key properties of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxo-3H-phthalazine-1-carboxamide?
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 4869738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).