11-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

C20H18N4O2 — CID 51975773

IUPAC11-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESO=c1c2cnc3c(-c4ccccc4)cnn3c2ccn1C[C@H]1CCCO1
InChIInChI=1S/C20H18N4O2/c25-20-17-11-21-19-16(14-5-2-1-3-6-14)12-22-24(19)18(17)8-9-23(20)13-15-7-4-10-26-15/h1-3,5-6,8-9,11-12,15H,4,7,10,13H2/t15-/m1/s1
InChIKeyWBWFWVKZEDRTAG-OAHLLOKOSA-N
MW346.39 g/mol
LogP2.89
Rot. Bonds3

About 11-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

11-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (PubChem CID 51975773) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 11-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.

Molecular Properties

Compound Name11-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
PubChem CID51975773
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name11-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESO=c1c2cnc3c(-c4ccccc4)cnn3c2ccn1C[C@H]1CCCO1
InChIInChI=1S/C20H18N4O2/c25-20-17-11-21-19-16(14-5-2-1-3-6-14)12-22-24(19)18(17)8-9-23(20)13-15-7-4-10-26-15/h1-3,5-6,8-9,11-12,15H,4,7,10,13H2/t15-/m1/s1
InChIKeyWBWFWVKZEDRTAG-OAHLLOKOSA-N
XLogP2.89
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one with MolForge

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Related Compounds

4-(4-methoxyphenyl)-11-(oxolan-2-ylmethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 16653858
4-(methoxymethyl)-11-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 51976266
3-(oxolan-2-ylmethyl)-7-phenylthieno[3,2-d]pyrimidin-4-one
CID 90331972
ethyl N-(10-oxo-5-phenyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)carbamate
CID 10641513
6-[[(2S)-oxolan-2-yl]methyl]benzo[d][2]benzazepine-5,7-dione
CID 714785
8-(oxolan-2-ylmethyl)-2-(pyridin-3-ylmethyl)pyrido[3,4-c][1,6]naphthyridine-1,7-dione
CID 66499564
3-methyl-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine
CID 11843028
8-(2-morpholin-4-ylethyl)-2-(oxolan-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
CID 43865048
4,8-dimethyl-11-(oxolan-2-ylmethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 56923127
4-(methoxymethyl)-11-(oxolan-2-ylmethyl)-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496492
1-(cyclopropylmethyl)-6-(oxolan-2-ylmethyl)pyrrolo[2,3-c]pyridin-7-one
CID 53164582
6-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)pyrrolo[2,3-c]pyridin-7-one
CID 53164579

Frequently Asked Questions

What is the IUPAC name of 11-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The IUPAC name of 11-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (CID 51975773) is 11-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.
What is the SMILES notation for 11-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The canonical SMILES for 11-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is O=c1c2cnc3c(-c4ccccc4)cnn3c2ccn1C[C@H]1CCCO1.
What is the InChIKey of 11-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The InChIKey is WBWFWVKZEDRTAG-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H18N4O2/c25-20-17-11-21-19-16(14-5-2-1-3-6-14)12-22-24(19)18(17)8-9-23(20)13-15-7-4-10-26-15/h1-3,5-6,8-9,11-12,15H,4,7,10,13H2/t15-/m1/s1.
What are the key properties of 11-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
11-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one has a molecular weight of 346.39 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is sourced from PubChem (CID 51975773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).