17-amino-10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaen-9-one

C17H16N2O — CID 139916519

IUPAC17-amino-10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaen-9-one
SMILESNc1ccc2c3c1-c1ccccc1CC(=O)N3CCC2
InChIInChI=1S/C17H16N2O/c18-14-8-7-11-5-3-9-19-15(20)10-12-4-1-2-6-13(12)16(14)17(11)19/h1-2,4,6-8H,3,5,9-10,18H2
InChIKeyPTCOBRXAPNASIA-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.77
Rot. Bonds

About 17-amino-10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaen-9-one

17-amino-10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaen-9-one (PubChem CID 139916519) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 17-amino-10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaen-9-one.

Molecular Properties

Compound Name17-amino-10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaen-9-one
PubChem CID139916519
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name17-amino-10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaen-9-one
SMILESNc1ccc2c3c1-c1ccccc1CC(=O)N3CCC2
InChIInChI=1S/C17H16N2O/c18-14-8-7-11-5-3-9-19-15(20)10-12-4-1-2-6-13(12)16(14)17(11)19/h1-2,4,6-8H,3,5,9-10,18H2
InChIKeyPTCOBRXAPNASIA-UHFFFAOYSA-N
XLogP2.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 116993305
tert-butyl 12-oxo-3,13-diazapentacyclo[11.7.1.02,10.04,9.017,21]henicosa-1(20),2(10),4,6,8,17(21),18-heptaene-3-carboxylate
CID 57331953
3,3-dichloro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-2,4-dione
CID 2785059
6-(2-oxopropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 116993333
6-(1-aminobutan-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 116993358
6-[3-(trifluoromethyl)phenyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 166272856
(3R)-3-ethyl-3-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 134968441
N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)methanesulfonamide
CID 7161323
9,10-dihydrophenanthren-4-amine
CID 12836481
4-[2-(3-amino-9H-fluoren-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-9H-fluoren-3-amine
CID 172819040
1-amino-4-methyl-10H-anthracen-9-one
CID 163804927
1-azatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-9,12-dione
CID 11195004

Frequently Asked Questions

What is the IUPAC name of 17-amino-10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaen-9-one?
The IUPAC name of 17-amino-10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaen-9-one (CID 139916519) is 17-amino-10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaen-9-one.
What is the SMILES notation for 17-amino-10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaen-9-one?
The canonical SMILES for 17-amino-10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaen-9-one is Nc1ccc2c3c1-c1ccccc1CC(=O)N3CCC2.
What is the InChIKey of 17-amino-10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaen-9-one?
The InChIKey is PTCOBRXAPNASIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c18-14-8-7-11-5-3-9-19-15(20)10-12-4-1-2-6-13(12)16(14)17(11)19/h1-2,4,6-8H,3,5,9-10,18H2.
What are the key properties of 17-amino-10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaen-9-one?
17-amino-10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaen-9-one has a molecular weight of 264.33 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-amino-10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaen-9-one is sourced from PubChem (CID 139916519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).