(13S)-13-benzyl-11-(2-hydroxyphenyl)-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one

C23H18N4O2 — CID 136961514

IUPAC(13S)-13-benzyl-11-(2-hydroxyphenyl)-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one
SMILESO=C1c2c(nc3ccccn23)NC(c2ccccc2O)=N[C@H]1Cc1ccccc1
InChIInChI=1S/C23H18N4O2/c28-18-11-5-4-10-16(18)22-24-17(14-15-8-2-1-3-9-15)21(29)20-23(26-22)25-19-12-6-7-13-27(19)20/h1-13,17,28H,14H2,(H,24,26)/t17-/m0/s1
InChIKeyFDUKCZZIOMHLAT-KRWDZBQOSA-N
MW382.42 g/mol
LogP3.71
Rot. Bonds3

About (13S)-13-benzyl-11-(2-hydroxyphenyl)-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one

(13S)-13-benzyl-11-(2-hydroxyphenyl)-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one (PubChem CID 136961514) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is (13S)-13-benzyl-11-(2-hydroxyphenyl)-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one.

Molecular Properties

Compound Name(13S)-13-benzyl-11-(2-hydroxyphenyl)-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one
PubChem CID136961514
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name(13S)-13-benzyl-11-(2-hydroxyphenyl)-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one
SMILESO=C1c2c(nc3ccccn23)NC(c2ccccc2O)=N[C@H]1Cc1ccccc1
InChIInChI=1S/C23H18N4O2/c28-18-11-5-4-10-16(18)22-24-17(14-15-8-2-1-3-9-15)21(29)20-23(26-22)25-19-12-6-7-13-27(19)20/h1-13,17,28H,14H2,(H,24,26)/t17-/m0/s1
InChIKeyFDUKCZZIOMHLAT-KRWDZBQOSA-N
XLogP3.71
TPSA78.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (13S)-13-benzyl-11-(2-hydroxyphenyl)-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one with MolForge

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Related Compounds

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2-allyl-6-{(E)-[(2-phenylimidazo[1,2-a]pyridin-8-yl)imino]methyl}phenol
CID 5179799
2-{6-Methyl-3-[(2-methylphenyl)amino]imidazo[1,2-a]pyridin-2-yl}phenol
CID 15989666
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CID 135676260
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2-{3-[(4-Methylphenyl)amino]imidazo[1,2-a]pyrimidin-2-yl}phenol
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2-[3-(Cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 856589
3-[3-(3-Hydroxyphenyl) imidazo[1,2-a]pyrazin-6-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of (13S)-13-benzyl-11-(2-hydroxyphenyl)-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one?
The IUPAC name of (13S)-13-benzyl-11-(2-hydroxyphenyl)-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one (CID 136961514) is (13S)-13-benzyl-11-(2-hydroxyphenyl)-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one.
What is the SMILES notation for (13S)-13-benzyl-11-(2-hydroxyphenyl)-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one?
The canonical SMILES for (13S)-13-benzyl-11-(2-hydroxyphenyl)-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one is O=C1c2c(nc3ccccn23)NC(c2ccccc2O)=N[C@H]1Cc1ccccc1.
What is the InChIKey of (13S)-13-benzyl-11-(2-hydroxyphenyl)-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one?
The InChIKey is FDUKCZZIOMHLAT-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H18N4O2/c28-18-11-5-4-10-16(18)22-24-17(14-15-8-2-1-3-9-15)21(29)20-23(26-22)25-19-12-6-7-13-27(19)20/h1-13,17,28H,14H2,(H,24,26)/t17-/m0/s1.
What are the key properties of (13S)-13-benzyl-11-(2-hydroxyphenyl)-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one?
(13S)-13-benzyl-11-(2-hydroxyphenyl)-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one has a molecular weight of 382.42 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (13S)-13-benzyl-11-(2-hydroxyphenyl)-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one is sourced from PubChem (CID 136961514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).