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

C24H21N3O2 — CID 4556252

IUPAC3-(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
SMILES[H]/N=c1/c2c(ncn1CCCO)Oc1ccc3ccccc3c1C2c1ccccc1
InChIInChI=1S/C24H21N3O2/c25-23-22-20(17-8-2-1-3-9-17)21-18-10-5-4-7-16(18)11-12-19(21)29-24(22)26-15-27(23)13-6-14-28/h1-5,7-12,15,20,25,28H,6,13-14H2/b25-23-
InChIKeyHHUMRIVZTINECY-BZZOAKBMSA-N
MW383.45 g/mol
LogP4.18
Rot. Bonds4

About 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

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 (PubChem CID 4556252) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID4556252
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name3-(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
SMILES[H]/N=c1/c2c(ncn1CCCO)Oc1ccc3ccccc3c1C2c1ccccc1
InChIInChI=1S/C24H21N3O2/c25-23-22-20(17-8-2-1-3-9-17)21-18-10-5-4-7-16(18)11-12-19(21)29-24(22)26-15-27(23)13-6-14-28/h1-5,7-12,15,20,25,28H,6,13-14H2/b25-23-
InChIKeyHHUMRIVZTINECY-BZZOAKBMSA-N
XLogP4.18
TPSA71.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [H]/N=c1/c2c(ncn1CCCO)Oc1ccc3ccccc3c1C2c1ccccc1.
What is the InChIKey of 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?
The InChIKey is HHUMRIVZTINECY-BZZOAKBMSA-N. The full InChI is InChI=1S/C24H21N3O2/c25-23-22-20(17-8-2-1-3-9-17)21-18-10-5-4-7-16(18)11-12-19(21)29-24(22)26-15-27(23)13-6-14-28/h1-5,7-12,15,20,25,28H,6,13-14H2/b25-23-.
What are the key properties of 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?
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 has a molecular weight of 383.45 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 4556252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).