16-imino-18-(4-methoxyphenyl)-15-methyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),3,5,8,12(17),13-heptaen-4-ol

C23H19N3O3 — CID 101182402

IUPAC16-imino-18-(4-methoxyphenyl)-15-methyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),3,5,8,12(17),13-heptaen-4-ol
SMILES[H]/N=c1/c2c(ncn1C)Oc1ccc3ccc(O)cc3c1C2c1ccc(OC)cc1
InChIInChI=1S/C23H19N3O3/c1-26-12-25-23-21(22(26)24)19(14-4-8-16(28-2)9-5-14)20-17-11-15(27)7-3-13(17)6-10-18(20)29-23/h3-12,19,24,27H,1-2H3/b24-22-
InChIKeyJVBCUAMOKCYSHA-GYHWCHFESA-N
MW385.42 g/mol
LogP4.05
Rot. Bonds2

About 16-imino-18-(4-methoxyphenyl)-15-methyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),3,5,8,12(17),13-heptaen-4-ol

16-imino-18-(4-methoxyphenyl)-15-methyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),3,5,8,12(17),13-heptaen-4-ol (PubChem CID 101182402) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 16-imino-18-(4-methoxyphenyl)-15-methyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),3,5,8,12(17),13-heptaen-4-ol.

Molecular Properties

Compound Name16-imino-18-(4-methoxyphenyl)-15-methyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),3,5,8,12(17),13-heptaen-4-ol
PubChem CID101182402
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name16-imino-18-(4-methoxyphenyl)-15-methyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),3,5,8,12(17),13-heptaen-4-ol
SMILES[H]/N=c1/c2c(ncn1C)Oc1ccc3ccc(O)cc3c1C2c1ccc(OC)cc1
InChIInChI=1S/C23H19N3O3/c1-26-12-25-23-21(22(26)24)19(14-4-8-16(28-2)9-5-14)20-17-11-15(27)7-3-13(17)6-10-18(20)29-23/h3-12,19,24,27H,1-2H3/b24-22-
InChIKeyJVBCUAMOKCYSHA-GYHWCHFESA-N
XLogP4.05
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 16-imino-18-(4-methoxyphenyl)-15-methyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),3,5,8,12(17),13-heptaen-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(18R)-15-benzyl-18-(4-methoxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine
CID 98176571
3-(furan-2-ylmethyl)-4-imino-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-8-ol
CID 4274338
5-(4-chlorophenyl)-8-ethoxy-3-methyl-5H-chromeno[2,3-d]pyrimidin-4-imine
CID 71569901
18-(3-methoxyphenyl)-15-(2-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine
CID 44634528
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
2-(4-methoxyphenyl)-6-(naphthalen-2-yloxymethyl)-12-oxa-5,7,8,10-tetrazapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-1(13),3(11),4,6,9,14,16,18,20-nonaene
CID 4244846
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-[16-imino-18-(3-methoxyphenyl)-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]benzonitrile
CID 44634517
2-[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]-N,N-dimethylethanamine
CID 4974258
(2R)-6-(furan-2-yl)-2-(4-methoxyphenyl)-12-oxa-5,7,8,10-tetrazapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-1(13),3(11),4,6,9,14,16,18,20-nonaene
CID 40785137
(9R)-9,13-bis(4-methoxyphenyl)-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol
CID 40999954
(2R)-2-(4-methoxyphenyl)-6-naphthalen-1-yl-12-oxa-5,7,8,10-tetrazapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-1(13),3(11),4,6,9,14,16,18,20-nonaene
CID 41134361

Frequently Asked Questions

What is the IUPAC name of 16-imino-18-(4-methoxyphenyl)-15-methyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),3,5,8,12(17),13-heptaen-4-ol?
The IUPAC name of 16-imino-18-(4-methoxyphenyl)-15-methyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),3,5,8,12(17),13-heptaen-4-ol (CID 101182402) is 16-imino-18-(4-methoxyphenyl)-15-methyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),3,5,8,12(17),13-heptaen-4-ol.
What is the SMILES notation for 16-imino-18-(4-methoxyphenyl)-15-methyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),3,5,8,12(17),13-heptaen-4-ol?
The canonical SMILES for 16-imino-18-(4-methoxyphenyl)-15-methyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),3,5,8,12(17),13-heptaen-4-ol is [H]/N=c1/c2c(ncn1C)Oc1ccc3ccc(O)cc3c1C2c1ccc(OC)cc1.
What is the InChIKey of 16-imino-18-(4-methoxyphenyl)-15-methyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),3,5,8,12(17),13-heptaen-4-ol?
The InChIKey is JVBCUAMOKCYSHA-GYHWCHFESA-N. The full InChI is InChI=1S/C23H19N3O3/c1-26-12-25-23-21(22(26)24)19(14-4-8-16(28-2)9-5-14)20-17-11-15(27)7-3-13(17)6-10-18(20)29-23/h3-12,19,24,27H,1-2H3/b24-22-.
What are the key properties of 16-imino-18-(4-methoxyphenyl)-15-methyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),3,5,8,12(17),13-heptaen-4-ol?
16-imino-18-(4-methoxyphenyl)-15-methyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),3,5,8,12(17),13-heptaen-4-ol has a molecular weight of 385.42 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 16-imino-18-(4-methoxyphenyl)-15-methyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),3,5,8,12(17),13-heptaen-4-ol is sourced from PubChem (CID 101182402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).