10-[2-(4-hydroxyphenyl)ethylamino]-2,7-dimethyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one

C20H23N3O2 — CID 21146784

IUPAC10-[2-(4-hydroxyphenyl)ethylamino]-2,7-dimethyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one
SMILESCN1CCc2cn(C)c3c2C1C=C(NCCc1ccc(O)cc1)C3=O
InChIInChI=1S/C20H23N3O2/c1-22-10-8-14-12-23(2)19-18(14)17(22)11-16(20(19)25)21-9-7-13-3-5-15(24)6-4-13/h3-6,11-12,17,21,24H,7-10H2,1-2H3
InChIKeyYNJBCIVIUZAAAR-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.17
Rot. Bonds4

About 10-[2-(4-hydroxyphenyl)ethylamino]-2,7-dimethyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one

10-[2-(4-hydroxyphenyl)ethylamino]-2,7-dimethyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one (PubChem CID 21146784) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 10-[2-(4-hydroxyphenyl)ethylamino]-2,7-dimethyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one.

Molecular Properties

Compound Name10-[2-(4-hydroxyphenyl)ethylamino]-2,7-dimethyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one
PubChem CID21146784
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name10-[2-(4-hydroxyphenyl)ethylamino]-2,7-dimethyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one
SMILESCN1CCc2cn(C)c3c2C1C=C(NCCc1ccc(O)cc1)C3=O
InChIInChI=1S/C20H23N3O2/c1-22-10-8-14-12-23(2)19-18(14)17(22)11-16(20(19)25)21-9-7-13-3-5-15(24)6-4-13/h3-6,11-12,17,21,24H,7-10H2,1-2H3
InChIKeyYNJBCIVIUZAAAR-UHFFFAOYSA-N
XLogP2.17
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 10-[2-(4-hydroxyphenyl)ethylamino]-2,7-dimethyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one with MolForge

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Related Compounds

10-[2-(4-hydroxyphenyl)ethenylamino]-7-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one
CID 163119799
10-[(4-methoxyphenyl)methylamino]-7-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one;2,2,2-trifluoroacetic acid
CID 173348251
(1S)-14-hydroxy-3-(4-hydroxyphenyl)-9-methyl-5,9,14-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-2(6),3,8(15),10-tetraen-7-one
CID 162801039
10-amino-7-methyl-2-prop-2-enyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one;2,2,2-trifluoroacetic acid
CID 173347889
6-(4-hydroxyphenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 105492659
1-[2-(4-hydroxyphenyl)ethyl]-3,4-dimethylpyrrole-2,5-dione
CID 63266809
2-[2-(4-hydroxyphenyl)ethylamino]-4,6-dimethylpyrimidine-5-carboxylic acid
CID 70896122
1-[2-(dimethylsulfamoylamino)ethyl]-4-hydroxybenzene
CID 61017659
4-[2-(2-methylsulfonylanilino)ethyl]phenol
CID 61237844
N-[2-(4-hydroxyphenyl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 108503044
7-benzyl-10-(benzylamino)-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,9-tetraen-11-one;2,2,2-trifluoroacetic acid
CID 173348233
4-[2-[(1-methylpyrazol-4-yl)methylamino]ethyl]phenol
CID 61238205

Frequently Asked Questions

What is the IUPAC name of 10-[2-(4-hydroxyphenyl)ethylamino]-2,7-dimethyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one?
The IUPAC name of 10-[2-(4-hydroxyphenyl)ethylamino]-2,7-dimethyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one (CID 21146784) is 10-[2-(4-hydroxyphenyl)ethylamino]-2,7-dimethyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one.
What is the SMILES notation for 10-[2-(4-hydroxyphenyl)ethylamino]-2,7-dimethyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one?
The canonical SMILES for 10-[2-(4-hydroxyphenyl)ethylamino]-2,7-dimethyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one is CN1CCc2cn(C)c3c2C1C=C(NCCc1ccc(O)cc1)C3=O.
What is the InChIKey of 10-[2-(4-hydroxyphenyl)ethylamino]-2,7-dimethyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one?
The InChIKey is YNJBCIVIUZAAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-22-10-8-14-12-23(2)19-18(14)17(22)11-16(20(19)25)21-9-7-13-3-5-15(24)6-4-13/h3-6,11-12,17,21,24H,7-10H2,1-2H3.
What are the key properties of 10-[2-(4-hydroxyphenyl)ethylamino]-2,7-dimethyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one?
10-[2-(4-hydroxyphenyl)ethylamino]-2,7-dimethyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one has a molecular weight of 337.42 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(4-hydroxyphenyl)ethylamino]-2,7-dimethyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one is sourced from PubChem (CID 21146784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).