2-[(4-phenyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaen-6-yl)amino]ethanol

C22H19N3O3 — CID 139218380

IUPAC2-[(4-phenyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaen-6-yl)amino]ethanol
SMILESOCCNc1nc(-c2ccccc2)nc2c1CCOc1c-2oc2ccccc12
InChIInChI=1S/C22H19N3O3/c26-12-11-23-22-16-10-13-27-19-15-8-4-5-9-17(15)28-20(19)18(16)24-21(25-22)14-6-2-1-3-7-14/h1-9,26H,10-13H2,(H,23,24,25)
InChIKeySQWUWKWWGCFPBD-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.90
Rot. Bonds4

About 2-[(4-phenyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaen-6-yl)amino]ethanol

2-[(4-phenyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaen-6-yl)amino]ethanol (PubChem CID 139218380) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[(4-phenyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaen-6-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-phenyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaen-6-yl)amino]ethanol
PubChem CID139218380
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name2-[(4-phenyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaen-6-yl)amino]ethanol
SMILESOCCNc1nc(-c2ccccc2)nc2c1CCOc1c-2oc2ccccc12
InChIInChI=1S/C22H19N3O3/c26-12-11-23-22-16-10-13-27-19-15-8-4-5-9-17(15)28-20(19)18(16)24-21(25-22)14-6-2-1-3-7-14/h1-9,26H,10-13H2,(H,23,24,25)
InChIKeySQWUWKWWGCFPBD-UHFFFAOYSA-N
XLogP3.90
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(4-phenyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaen-6-yl)amino]ethanol with MolForge

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Related Compounds

2-[(4-phenyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaen-6-yl)sulfanyl]ethanol
CID 139219121
6-chloro-4-phenyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaene
CID 86298634
2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol
CID 2024503
2-[(2-phenylquinazolin-4-yl)amino]ethanol;hydrochloride
CID 2789481
6-chloro-4-ethyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaene
CID 139218359
2-[[2-(4-chlorophenyl)-5,6-dihydro-[1]benzothiepino[5,4-d]pyrimidin-4-yl]amino]ethanol
CID 139219710
N-(3-methylbutyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 3769904
2,4-diphenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742294
2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol
CID 3604273
N-(3-imidazol-1-ylpropyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 4025230
trimethyl-[4-[4-[4-[4-phenyl-6-(2-phenyl-1-benzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]naphthalen-1-yl]-λ4-sulfane
CID 176645302
4-naphtho[1,2-b][1]benzofuran-2-yl-2-[4-(4-phenylphenyl)phenyl]quinazoline
CID 155326645

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaen-6-yl)amino]ethanol?
The IUPAC name of 2-[(4-phenyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaen-6-yl)amino]ethanol (CID 139218380) is 2-[(4-phenyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaen-6-yl)amino]ethanol.
What is the SMILES notation for 2-[(4-phenyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaen-6-yl)amino]ethanol?
The canonical SMILES for 2-[(4-phenyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaen-6-yl)amino]ethanol is OCCNc1nc(-c2ccccc2)nc2c1CCOc1c-2oc2ccccc12.
What is the InChIKey of 2-[(4-phenyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaen-6-yl)amino]ethanol?
The InChIKey is SQWUWKWWGCFPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c26-12-11-23-22-16-10-13-27-19-15-8-4-5-9-17(15)28-20(19)18(16)24-21(25-22)14-6-2-1-3-7-14/h1-9,26H,10-13H2,(H,23,24,25).
What are the key properties of 2-[(4-phenyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaen-6-yl)amino]ethanol?
2-[(4-phenyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaen-6-yl)amino]ethanol has a molecular weight of 373.41 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaen-6-yl)amino]ethanol is sourced from PubChem (CID 139218380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).