1-[(4-fluorophenyl)methyl]-4-[(1-methylpyrrolidin-2-yl)methoxy]phthalazine

C21H22FN3O — CID 110188735

IUPAC1-[(4-fluorophenyl)methyl]-4-[(1-methylpyrrolidin-2-yl)methoxy]phthalazine
SMILESCN1CCCC1COc1nnc(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C21H22FN3O/c1-25-12-4-5-17(25)14-26-21-19-7-3-2-6-18(19)20(23-24-21)13-15-8-10-16(22)11-9-15/h2-3,6-11,17H,4-5,12-14H2,1H3
InChIKeySAPLCNYSZDYEOJ-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.83
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-4-[(1-methylpyrrolidin-2-yl)methoxy]phthalazine

1-[(4-fluorophenyl)methyl]-4-[(1-methylpyrrolidin-2-yl)methoxy]phthalazine (PubChem CID 110188735) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-[(1-methylpyrrolidin-2-yl)methoxy]phthalazine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-[(1-methylpyrrolidin-2-yl)methoxy]phthalazine
PubChem CID110188735
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name1-[(4-fluorophenyl)methyl]-4-[(1-methylpyrrolidin-2-yl)methoxy]phthalazine
SMILESCN1CCCC1COc1nnc(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C21H22FN3O/c1-25-12-4-5-17(25)14-26-21-19-7-3-2-6-18(19)20(23-24-21)13-15-8-10-16(22)11-9-15/h2-3,6-11,17H,4-5,12-14H2,1H3
InChIKeySAPLCNYSZDYEOJ-UHFFFAOYSA-N
XLogP3.83
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-methylpyrrolidin-2-yl)methoxy]pyridin-3-amine
CID 117096154
(2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine
CID 22857692
2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 141201313
2-[(2,3-difluorophenoxy)methyl]-1-methylpyrrolidine;hydrochloride
CID 19002688
[1-[(1-methylpiperidin-2-yl)methoxy]isoquinolin-3-yl]methanol
CID 65467106
[4-[(1-methylpiperidin-2-yl)methoxy]quinazolin-2-yl]hydrazine
CID 80925569
2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]benzoic acid
CID 170367933
[3-[(1-methylpiperidin-2-yl)methoxy]pyridazin-4-yl]methanamine
CID 80507893
2-[(4-fluorophenyl)methyl]-6-(1-methylpyrrolidin-2-yl)pyridine
CID 110254377
3-[(1-methylpiperidin-2-yl)methoxy]quinoxalin-2-amine
CID 102988241
4-bromo-3-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-1,7-naphthyridine
CID 175469197
2,4-dichloro-5-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine
CID 168910926

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-[(1-methylpyrrolidin-2-yl)methoxy]phthalazine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-[(1-methylpyrrolidin-2-yl)methoxy]phthalazine (CID 110188735) is 1-[(4-fluorophenyl)methyl]-4-[(1-methylpyrrolidin-2-yl)methoxy]phthalazine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-[(1-methylpyrrolidin-2-yl)methoxy]phthalazine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-[(1-methylpyrrolidin-2-yl)methoxy]phthalazine is CN1CCCC1COc1nnc(Cc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-[(1-methylpyrrolidin-2-yl)methoxy]phthalazine?
The InChIKey is SAPLCNYSZDYEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-25-12-4-5-17(25)14-26-21-19-7-3-2-6-18(19)20(23-24-21)13-15-8-10-16(22)11-9-15/h2-3,6-11,17H,4-5,12-14H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-[(1-methylpyrrolidin-2-yl)methoxy]phthalazine?
1-[(4-fluorophenyl)methyl]-4-[(1-methylpyrrolidin-2-yl)methoxy]phthalazine has a molecular weight of 351.43 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-[(1-methylpyrrolidin-2-yl)methoxy]phthalazine is sourced from PubChem (CID 110188735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).