(11R,15R)-11-(furan-2-yl)-1,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9(14),16,18,20-heptaene-13,22-dione

C24H18N2O3 — CID 6549486

IUPAC(11R,15R)-11-(furan-2-yl)-1,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9(14),16,18,20-heptaene-13,22-dione
SMILESO=C1C[C@H](c2ccco2)CC2=C1[C@H]1c3ccccc3C(=O)N1c1ccccc1N2
InChIInChI=1S/C24H18N2O3/c27-20-13-14(21-10-5-11-29-21)12-18-22(20)23-15-6-1-2-7-16(15)24(28)26(23)19-9-4-3-8-17(19)25-18/h1-11,14,23,25H,12-13H2/t14-,23-/m1/s1
InChIKeyIIALNEPCMBWVKM-QKFKETGDSA-N
MW382.42 g/mol
LogP4.81
Rot. Bonds1

About (11R,15R)-11-(furan-2-yl)-1,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9(14),16,18,20-heptaene-13,22-dione

(11R,15R)-11-(furan-2-yl)-1,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9(14),16,18,20-heptaene-13,22-dione (PubChem CID 6549486) has the molecular formula C24H18N2O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is (11R,15R)-11-(furan-2-yl)-1,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9(14),16,18,20-heptaene-13,22-dione.

Molecular Properties

Compound Name(11R,15R)-11-(furan-2-yl)-1,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9(14),16,18,20-heptaene-13,22-dione
PubChem CID6549486
Molecular FormulaC24H18N2O3
Molecular Weight382.42 g/mol
Exact Mass382.13
IUPAC Name(11R,15R)-11-(furan-2-yl)-1,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9(14),16,18,20-heptaene-13,22-dione
SMILESO=C1C[C@H](c2ccco2)CC2=C1[C@H]1c3ccccc3C(=O)N1c1ccccc1N2
InChIInChI=1S/C24H18N2O3/c27-20-13-14(21-10-5-11-29-21)12-18-22(20)23-15-6-1-2-7-16(15)24(28)26(23)19-9-4-3-8-17(19)25-18/h1-11,14,23,25H,12-13H2/t14-,23-/m1/s1
InChIKeyIIALNEPCMBWVKM-QKFKETGDSA-N
XLogP4.81
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (11R,15R)-11-(furan-2-yl)-1,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9(14),16,18,20-heptaene-13,22-dione with MolForge

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Related Compounds

(11S,15R)-11-(4-methylphenyl)-1,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9(14),16,18,20-heptaene-13,22-dione
CID 1493026
6,9-bis(furan-2-yl)-5-propanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
CID 2882108
5-benzoyl-6,9-bis(furan-2-yl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
CID 4181022
(6S,9S)-5-benzoyl-6,9-bis(furan-2-yl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
CID 1011624
(6R,9S)-6,9-bis(furan-2-yl)-7-oxo-N-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carboxamide
CID 40990597
(6S,9R)-6-(4-chlorophenyl)-5-[(4-chlorophenyl)methyl]-9-(furan-2-yl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
CID 40990464
(6R,9S)-9-(furan-2-yl)-7-oxo-N,6-diphenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carboxamide
CID 40990512
(6R,9R)-6,9-bis(furan-2-yl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 743140
6,9-bis(furan-2-yl)-5-[(4-methoxyphenyl)methyl]-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
CID 16645977
(6R,9R)-6,9-bis(furan-2-yl)-N-(furan-2-ylmethyl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carboxamide
CID 40990614
(6R,9R)-5-acetyl-6-(4-chlorophenyl)-9-(furan-2-yl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
CID 1080921
(6R,9S)-5-[(4-chlorophenyl)methyl]-9-(furan-2-yl)-6-(2-methoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
CID 40990550

Frequently Asked Questions

What is the IUPAC name of (11R,15R)-11-(furan-2-yl)-1,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9(14),16,18,20-heptaene-13,22-dione?
The IUPAC name of (11R,15R)-11-(furan-2-yl)-1,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9(14),16,18,20-heptaene-13,22-dione (CID 6549486) is (11R,15R)-11-(furan-2-yl)-1,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9(14),16,18,20-heptaene-13,22-dione.
What is the SMILES notation for (11R,15R)-11-(furan-2-yl)-1,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9(14),16,18,20-heptaene-13,22-dione?
The canonical SMILES for (11R,15R)-11-(furan-2-yl)-1,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9(14),16,18,20-heptaene-13,22-dione is O=C1C[C@H](c2ccco2)CC2=C1[C@H]1c3ccccc3C(=O)N1c1ccccc1N2.
What is the InChIKey of (11R,15R)-11-(furan-2-yl)-1,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9(14),16,18,20-heptaene-13,22-dione?
The InChIKey is IIALNEPCMBWVKM-QKFKETGDSA-N. The full InChI is InChI=1S/C24H18N2O3/c27-20-13-14(21-10-5-11-29-21)12-18-22(20)23-15-6-1-2-7-16(15)24(28)26(23)19-9-4-3-8-17(19)25-18/h1-11,14,23,25H,12-13H2/t14-,23-/m1/s1.
What are the key properties of (11R,15R)-11-(furan-2-yl)-1,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9(14),16,18,20-heptaene-13,22-dione?
(11R,15R)-11-(furan-2-yl)-1,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9(14),16,18,20-heptaene-13,22-dione has a molecular weight of 382.42 g/mol, XLogP of 4.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11R,15R)-11-(furan-2-yl)-1,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9(14),16,18,20-heptaene-13,22-dione is sourced from PubChem (CID 6549486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).