4-phenyl-9-(quinolin-6-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C24H25N3O2 — CID 155986063

IUPAC4-phenyl-9-(quinolin-6-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(Cc3ccc4ncccc4c3)CC2)CN1c1ccccc1
InChIInChI=1S/C24H25N3O2/c28-23-17-29-24(18-27(23)21-6-2-1-3-7-21)10-13-26(14-11-24)16-19-8-9-22-20(15-19)5-4-12-25-22/h1-9,12,15H,10-11,13-14,16-18H2
InChIKeyVFCNGEXINZMEEW-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.63
Rot. Bonds3

About 4-phenyl-9-(quinolin-6-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-phenyl-9-(quinolin-6-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 155986063) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-phenyl-9-(quinolin-6-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-phenyl-9-(quinolin-6-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID155986063
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name4-phenyl-9-(quinolin-6-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(Cc3ccc4ncccc4c3)CC2)CN1c1ccccc1
InChIInChI=1S/C24H25N3O2/c28-23-17-29-24(18-27(23)21-6-2-1-3-7-21)10-13-26(14-11-24)16-19-8-9-22-20(15-19)5-4-12-25-22/h1-9,12,15H,10-11,13-14,16-18H2
InChIKeyVFCNGEXINZMEEW-UHFFFAOYSA-N
XLogP3.63
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-9-phenyl-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 125021048
4-(4-fluorophenyl)-9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985854
9-[(2-chlorophenyl)methyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986013
4-phenyl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97372508
9-[(2-fluorophenyl)methyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985914
9-[(1-methylpyrrol-2-yl)methyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451063
4-pyridin-3-yl-9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;bis(2,2,2-trifluoroacetic acid)
CID 171696964
4-(3-fluorophenyl)-9-[(4-methylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985884
4-(3-fluorophenyl)-9-[(4-methoxyphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985981
10-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986308
9-[2-(3-hydroxyphenyl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562319
10-[(2,4-dimethylphenyl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986318

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-9-(quinolin-6-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-phenyl-9-(quinolin-6-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 155986063) is 4-phenyl-9-(quinolin-6-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-phenyl-9-(quinolin-6-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-phenyl-9-(quinolin-6-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCN(Cc3ccc4ncccc4c3)CC2)CN1c1ccccc1.
What is the InChIKey of 4-phenyl-9-(quinolin-6-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is VFCNGEXINZMEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c28-23-17-29-24(18-27(23)21-6-2-1-3-7-21)10-13-26(14-11-24)16-19-8-9-22-20(15-19)5-4-12-25-22/h1-9,12,15H,10-11,13-14,16-18H2.
What are the key properties of 4-phenyl-9-(quinolin-6-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-phenyl-9-(quinolin-6-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 387.48 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-9-(quinolin-6-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 155986063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).