2-naphthalen-2-yloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one

C22H24N4O2 — CID 70709165

IUPAC2-naphthalen-2-yloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one
SMILESCC(Oc1ccc2ccccc2c1)C(=O)N1CCCN(c2ncccn2)CC1
InChIInChI=1S/C22H24N4O2/c1-17(28-20-9-8-18-6-2-3-7-19(18)16-20)21(27)25-12-5-13-26(15-14-25)22-23-10-4-11-24-22/h2-4,6-11,16-17H,5,12-15H2,1H3
InChIKeyBVFXRQARQLOVAJ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.14
Rot. Bonds4

About 2-naphthalen-2-yloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one

2-naphthalen-2-yloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one (PubChem CID 70709165) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one
PubChem CID70709165
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-naphthalen-2-yloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one
SMILESCC(Oc1ccc2ccccc2c1)C(=O)N1CCCN(c2ncccn2)CC1
InChIInChI=1S/C22H24N4O2/c1-17(28-20-9-8-18-6-2-3-7-19(18)16-20)21(27)25-12-5-13-26(15-14-25)22-23-10-4-11-24-22/h2-4,6-11,16-17H,5,12-15H2,1H3
InChIKeyBVFXRQARQLOVAJ-UHFFFAOYSA-N
XLogP3.14
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-naphthalen-2-yloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one with MolForge

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Related Compounds

(2S)-2-(4-propan-2-ylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 42562844
2-(4-phenylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 17249391
2-naphthalen-2-yloxy-1-(4-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 70777331
(2S)-1-(azetidin-1-yl)-2-quinolin-3-yloxypropan-1-one
CID 166219750
2-naphthalen-2-yloxy-1-(4-propylpiperazin-1-yl)propan-1-one
CID 17375116
2-(4-propan-2-ylphenoxy)-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 108546838
(2S)-2-(2,4-dichlorophenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 40599258
(2R)-2-(2,5-dichlorophenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 42561175
2-(4-phenylphenoxy)-1-[4-[2-(4-phenylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981282
(2S)-2-(4-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 7354583
1-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 70703060
7-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxychromen-2-one
CID 171389391

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one?
The IUPAC name of 2-naphthalen-2-yloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one (CID 70709165) is 2-naphthalen-2-yloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one.
What is the SMILES notation for 2-naphthalen-2-yloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one?
The canonical SMILES for 2-naphthalen-2-yloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one is CC(Oc1ccc2ccccc2c1)C(=O)N1CCCN(c2ncccn2)CC1.
What is the InChIKey of 2-naphthalen-2-yloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one?
The InChIKey is BVFXRQARQLOVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-17(28-20-9-8-18-6-2-3-7-19(18)16-20)21(27)25-12-5-13-26(15-14-25)22-23-10-4-11-24-22/h2-4,6-11,16-17H,5,12-15H2,1H3.
What are the key properties of 2-naphthalen-2-yloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one?
2-naphthalen-2-yloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one has a molecular weight of 376.46 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one is sourced from PubChem (CID 70709165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).