(2-chlorophenyl)-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]methanone

C20H20ClN3O2 — CID 91906506

IUPAC(2-chlorophenyl)-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]methanone
SMILESCc1ccc(C2=NC3(CCN(C(=O)c4ccccc4Cl)CC3)ON2)cc1
InChIInChI=1S/C20H20ClN3O2/c1-14-6-8-15(9-7-14)18-22-20(26-23-18)10-12-24(13-11-20)19(25)16-4-2-3-5-17(16)21/h2-9H,10-13H2,1H3,(H,22,23)
InChIKeyRTLFZIYNRZLLJY-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.56
Rot. Bonds2

About (2-chlorophenyl)-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]methanone

(2-chlorophenyl)-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]methanone (PubChem CID 91906506) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is (2-chlorophenyl)-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]methanone
PubChem CID91906506
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name(2-chlorophenyl)-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]methanone
SMILESCc1ccc(C2=NC3(CCN(C(=O)c4ccccc4Cl)CC3)ON2)cc1
InChIInChI=1S/C20H20ClN3O2/c1-14-6-8-15(9-7-14)18-22-20(26-23-18)10-12-24(13-11-20)19(25)16-4-2-3-5-17(16)21/h2-9H,10-13H2,1H3,(H,22,23)
InChIKeyRTLFZIYNRZLLJY-UHFFFAOYSA-N
XLogP3.56
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-chlorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]-(2-fluorophenyl)methanone
CID 91888974
N-[3-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carbonyl]phenyl]acetamide
CID 91888876
3-(3-methoxyphenyl)-1-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]propan-1-one
CID 91906500
[3-(4-bromophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]-(3-fluorophenyl)methanone
CID 91888940
2-(2-methoxyphenyl)-1-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)ethanone
CID 91888910
3-(4-tert-butylphenyl)-8-(2-chlorobenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 20911476
[3-(3-bromophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]-(4-methoxyphenyl)methanone
CID 91888865
(2-chlorophenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406239
8-(2-chlorobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668800
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(4-methylphenyl)acetonitrile
CID 110349807
[3-(4-chlorophenyl)-1-oxa-2,4-diazaspiro[4.5]dec-3-en-8-yl] N-[(2-methylphenyl)methyl]carbamate
CID 69279402
1'-(2-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260534

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]methanone (CID 91906506) is (2-chlorophenyl)-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]methanone is Cc1ccc(C2=NC3(CCN(C(=O)c4ccccc4Cl)CC3)ON2)cc1.
What is the InChIKey of (2-chlorophenyl)-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]methanone?
The InChIKey is RTLFZIYNRZLLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-14-6-8-15(9-7-14)18-22-20(26-23-18)10-12-24(13-11-20)19(25)16-4-2-3-5-17(16)21/h2-9H,10-13H2,1H3,(H,22,23).
What are the key properties of (2-chlorophenyl)-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]methanone?
(2-chlorophenyl)-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]methanone has a molecular weight of 369.85 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]methanone is sourced from PubChem (CID 91906506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).