3-(10-imino-6-methyl-4,8-diphenyl-2-oxa-4,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,12-tetraen-11-yl)propan-1-ol

C24H23N5O2 — CID 3749665

IUPAC3-(10-imino-6-methyl-4,8-diphenyl-2-oxa-4,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,12-tetraen-11-yl)propan-1-ol
SMILES[H]/N=c1/c2c(ncn1CCCO)Oc1c(c(C)nn1-c1ccccc1)C2c1ccccc1
InChIInChI=1S/C24H23N5O2/c1-16-19-20(17-9-4-2-5-10-17)21-22(25)28(13-8-14-30)15-26-23(21)31-24(19)29(27-16)18-11-6-3-7-12-18/h2-7,9-12,15,20,25,30H,8,13-14H2,1H3/b25-22-
InChIKeyVADSHQMYXMKERM-LVWGJNHUSA-N
MW413.48 g/mol
LogP3.52
Rot. Bonds5

About 3-(10-imino-6-methyl-4,8-diphenyl-2-oxa-4,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,12-tetraen-11-yl)propan-1-ol

3-(10-imino-6-methyl-4,8-diphenyl-2-oxa-4,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,12-tetraen-11-yl)propan-1-ol (PubChem CID 3749665) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 3-(10-imino-6-methyl-4,8-diphenyl-2-oxa-4,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,12-tetraen-11-yl)propan-1-ol.

Molecular Properties

Compound Name3-(10-imino-6-methyl-4,8-diphenyl-2-oxa-4,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,12-tetraen-11-yl)propan-1-ol
PubChem CID3749665
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name3-(10-imino-6-methyl-4,8-diphenyl-2-oxa-4,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,12-tetraen-11-yl)propan-1-ol
SMILES[H]/N=c1/c2c(ncn1CCCO)Oc1c(c(C)nn1-c1ccccc1)C2c1ccccc1
InChIInChI=1S/C24H23N5O2/c1-16-19-20(17-9-4-2-5-10-17)21-22(25)28(13-8-14-30)15-26-23(21)31-24(19)29(27-16)18-11-6-3-7-12-18/h2-7,9-12,15,20,25,30H,8,13-14H2,1H3/b25-22-
InChIKeyVADSHQMYXMKERM-LVWGJNHUSA-N
XLogP3.52
TPSA88.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(10-imino-6-methyl-4,8-diphenyl-2-oxa-4,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,12-tetraen-11-yl)propan-1-ol with MolForge

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Related Compounds

11-(3-imidazol-1-ylpropyl)-6-methyl-4,8-diphenyl-2-oxa-4,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,12-tetraen-10-imine
CID 4993587
(8R)-11-benzyl-8-(4-methoxyphenyl)-6-methyl-4-phenyl-2-oxa-4,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,12-tetraen-10-imine
CID 98169026
3-(16-imino-18-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-15-yl)propan-1-ol
CID 4556252
3-[(11R)-13-imino-11-phenyl-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]propan-1-ol
CID 98118963
3-(3-hydroxypropyl)-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol
CID 4901173
4-imino-3-(3-morpholin-4-ylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol
CID 4612717
(16S)-14-methyl-4-(2-methylphenyl)-12,16-diphenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene
CID 40969379
14-methyl-4-[(2-methylphenoxy)methyl]-12,16-diphenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene
CID 3896869
(16S)-16-(4-chlorophenyl)-4,14-dimethyl-12-phenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene
CID 40941437
4-[(3,4-dimethoxyphenyl)methyl]-14-methyl-12,16-diphenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene
CID 4040285
3-butyl-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol
CID 4971886
2-[(11S)-13-imino-11-(4-methoxyphenyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]ethanol
CID 98169230

Frequently Asked Questions

What is the IUPAC name of 3-(10-imino-6-methyl-4,8-diphenyl-2-oxa-4,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,12-tetraen-11-yl)propan-1-ol?
The IUPAC name of 3-(10-imino-6-methyl-4,8-diphenyl-2-oxa-4,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,12-tetraen-11-yl)propan-1-ol (CID 3749665) is 3-(10-imino-6-methyl-4,8-diphenyl-2-oxa-4,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,12-tetraen-11-yl)propan-1-ol.
What is the SMILES notation for 3-(10-imino-6-methyl-4,8-diphenyl-2-oxa-4,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,12-tetraen-11-yl)propan-1-ol?
The canonical SMILES for 3-(10-imino-6-methyl-4,8-diphenyl-2-oxa-4,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,12-tetraen-11-yl)propan-1-ol is [H]/N=c1/c2c(ncn1CCCO)Oc1c(c(C)nn1-c1ccccc1)C2c1ccccc1.
What is the InChIKey of 3-(10-imino-6-methyl-4,8-diphenyl-2-oxa-4,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,12-tetraen-11-yl)propan-1-ol?
The InChIKey is VADSHQMYXMKERM-LVWGJNHUSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-16-19-20(17-9-4-2-5-10-17)21-22(25)28(13-8-14-30)15-26-23(21)31-24(19)29(27-16)18-11-6-3-7-12-18/h2-7,9-12,15,20,25,30H,8,13-14H2,1H3/b25-22-.
What are the key properties of 3-(10-imino-6-methyl-4,8-diphenyl-2-oxa-4,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,12-tetraen-11-yl)propan-1-ol?
3-(10-imino-6-methyl-4,8-diphenyl-2-oxa-4,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,12-tetraen-11-yl)propan-1-ol has a molecular weight of 413.48 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-imino-6-methyl-4,8-diphenyl-2-oxa-4,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,12-tetraen-11-yl)propan-1-ol is sourced from PubChem (CID 3749665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).