N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C20H19N3O3 — CID 154806392

IUPACN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)NCC1OCCc2ccccc21
InChIInChI=1S/C20H19N3O3/c24-19(11-17-15-7-3-4-8-16(15)20(25)23-22-17)21-12-18-14-6-2-1-5-13(14)9-10-26-18/h1-8,18H,9-12H2,(H,21,24)(H,23,25)
InChIKeyZQLNBPIZEHZERG-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.90
Rot. Bonds4

About N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 154806392) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID154806392
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)NCC1OCCc2ccccc21
InChIInChI=1S/C20H19N3O3/c24-19(11-17-15-7-3-4-8-16(15)20(25)23-22-17)21-12-18-14-6-2-1-5-13(14)9-10-26-18/h1-8,18H,9-12H2,(H,21,24)(H,23,25)
InChIKeyZQLNBPIZEHZERG-UHFFFAOYSA-N
XLogP1.90
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 99946586
N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-pyridin-3-ylacetamide
CID 99957581
3-amino-4-chloro-N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1H-pyrazole-5-carboxamide
CID 99927502
2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
CID 17394362
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-morpholin-4-ylpropanamide
CID 2902614
2-chloro-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzamide
CID 2881036
N-(furan-3-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 171679416
(3S)-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-(4-hydroxyphenyl)-3-phenylpropanamide
CID 1087491
2-bromo-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzamide
CID 3132819
2-(3,4-dihydro-1H-isochromen-1-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
CID 111386279
N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-[(2R)-2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 42319174
2-(4-oxo-3H-phthalazin-1-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 9143875

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 154806392) is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is O=C(Cc1n[nH]c(=O)c2ccccc12)NCC1OCCc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is ZQLNBPIZEHZERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-19(11-17-15-7-3-4-8-16(15)20(25)23-22-17)21-12-18-14-6-2-1-5-13(14)9-10-26-18/h1-8,18H,9-12H2,(H,21,24)(H,23,25).
What are the key properties of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 349.39 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 154806392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).