2-(1-methylazepan-4-yl)-4-(quinolin-2-ylmethoxy)phthalazin-1-one

C25H26N4O2 — CID 110188928

IUPAC2-(1-methylazepan-4-yl)-4-(quinolin-2-ylmethoxy)phthalazin-1-one
SMILESCN1CCCC(n2nc(OCc3ccc4ccccc4n3)c3ccccc3c2=O)CC1
InChIInChI=1S/C25H26N4O2/c1-28-15-6-8-20(14-16-28)29-25(30)22-10-4-3-9-21(22)24(27-29)31-17-19-13-12-18-7-2-5-11-23(18)26-19/h2-5,7,9-13,20H,6,8,14-17H2,1H3
InChIKeyFHCGTEQRWALGGD-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.18
Rot. Bonds4

About 2-(1-methylazepan-4-yl)-4-(quinolin-2-ylmethoxy)phthalazin-1-one

2-(1-methylazepan-4-yl)-4-(quinolin-2-ylmethoxy)phthalazin-1-one (PubChem CID 110188928) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-(1-methylazepan-4-yl)-4-(quinolin-2-ylmethoxy)phthalazin-1-one.

Molecular Properties

Compound Name2-(1-methylazepan-4-yl)-4-(quinolin-2-ylmethoxy)phthalazin-1-one
PubChem CID110188928
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name2-(1-methylazepan-4-yl)-4-(quinolin-2-ylmethoxy)phthalazin-1-one
SMILESCN1CCCC(n2nc(OCc3ccc4ccccc4n3)c3ccccc3c2=O)CC1
InChIInChI=1S/C25H26N4O2/c1-28-15-6-8-20(14-16-28)29-25(30)22-10-4-3-9-21(22)24(27-29)31-17-19-13-12-18-7-2-5-11-23(18)26-19/h2-5,7,9-13,20H,6,8,14-17H2,1H3
InChIKeyFHCGTEQRWALGGD-UHFFFAOYSA-N
XLogP4.18
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methylazepan-4-yl)-4-propylphthalazin-1-one
CID 110188591
2-(1-methylazepan-4-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]phthalazin-1-one
CID 110187414
1-[(2S)-1-methylpyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine
CID 58622263
(3S,4R)-1-methyl-3-[[methyl(quinolin-2-ylmethyl)amino]methyl]piperidin-4-ol
CID 56854498
N-[(1-methylpyrrolidin-3-yl)methyl]-N-(quinolin-2-ylmethyl)ethanamine
CID 50978297
[(2S)-1-(quinolin-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 78995603
4-[(4-chlorophenyl)methyl]-6-hydroxy-2-(1-methylpiperidin-4-yl)phthalazin-1-one
CID 110187686
1-cyclopentyl-4-(quinolin-2-ylmethyl)piperazin-2-one
CID 46981331
1,1-dioxo-2-[2-(quinolin-2-ylmethoxy)phenyl]-1,2,4-thiadiazetidin-3-one
CID 54453783
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 71779551
1-[1-(quinolin-2-ylmethyl)piperidin-2-yl]propan-2-one
CID 79538611
2-phenyl-3-(quinolin-2-ylmethoxy)quinoxaline
CID 110173775

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylazepan-4-yl)-4-(quinolin-2-ylmethoxy)phthalazin-1-one?
The IUPAC name of 2-(1-methylazepan-4-yl)-4-(quinolin-2-ylmethoxy)phthalazin-1-one (CID 110188928) is 2-(1-methylazepan-4-yl)-4-(quinolin-2-ylmethoxy)phthalazin-1-one.
What is the SMILES notation for 2-(1-methylazepan-4-yl)-4-(quinolin-2-ylmethoxy)phthalazin-1-one?
The canonical SMILES for 2-(1-methylazepan-4-yl)-4-(quinolin-2-ylmethoxy)phthalazin-1-one is CN1CCCC(n2nc(OCc3ccc4ccccc4n3)c3ccccc3c2=O)CC1.
What is the InChIKey of 2-(1-methylazepan-4-yl)-4-(quinolin-2-ylmethoxy)phthalazin-1-one?
The InChIKey is FHCGTEQRWALGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-28-15-6-8-20(14-16-28)29-25(30)22-10-4-3-9-21(22)24(27-29)31-17-19-13-12-18-7-2-5-11-23(18)26-19/h2-5,7,9-13,20H,6,8,14-17H2,1H3.
What are the key properties of 2-(1-methylazepan-4-yl)-4-(quinolin-2-ylmethoxy)phthalazin-1-one?
2-(1-methylazepan-4-yl)-4-(quinolin-2-ylmethoxy)phthalazin-1-one has a molecular weight of 414.51 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylazepan-4-yl)-4-(quinolin-2-ylmethoxy)phthalazin-1-one is sourced from PubChem (CID 110188928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).