16-isoquinolin-4-yl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione

C25H14N2O2 — CID 122226300

IUPAC16-isoquinolin-4-yl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione
SMILESO=C1c2ccccc2-c2c(-c3cncc4ccccc34)[nH]c(=O)c3cccc1c23
InChIInChI=1S/C25H14N2O2/c28-24-17-9-4-3-8-16(17)22-21-18(24)10-5-11-19(21)25(29)27-23(22)20-13-26-12-14-6-1-2-7-15(14)20/h1-13H,(H,27,29)
InChIKeyVNXJQDIJEJHOHA-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.95
Rot. Bonds1

About 16-isoquinolin-4-yl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione

16-isoquinolin-4-yl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione (PubChem CID 122226300) has the molecular formula C25H14N2O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 16-isoquinolin-4-yl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione.

Molecular Properties

Compound Name16-isoquinolin-4-yl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione
PubChem CID122226300
Molecular FormulaC25H14N2O2
Molecular Weight374.40 g/mol
Exact Mass374.11
IUPAC Name16-isoquinolin-4-yl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione
SMILESO=C1c2ccccc2-c2c(-c3cncc4ccccc34)[nH]c(=O)c3cccc1c23
InChIInChI=1S/C25H14N2O2/c28-24-17-9-4-3-8-16(17)22-21-18(24)10-5-11-19(21)25(29)27-23(22)20-13-26-12-14-6-1-2-7-15(14)20/h1-13H,(H,27,29)
InChIKeyVNXJQDIJEJHOHA-UHFFFAOYSA-N
XLogP4.95
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 16-isoquinolin-4-yl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione 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

16-(4-acetylphenyl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione
CID 122226298
2-isoquinolin-4-yl-6-methoxy-N,N-di(propan-2-yl)benzamide
CID 39781804
4-isoquinolin-4-yl-2H-phthalazin-1-one
CID 106518041
3-isoquinolin-4-yl-4,5-dimethyl-1H-pyridazin-6-one
CID 106518049
6-isoquinolin-4-yl-1H-pyridine-2-thione
CID 106518044
7-isoquinolin-4-yl-2-methyl-2,3-dihydroinden-1-one
CID 22172886
7-isoquinolin-4-yl-1H-quinolin-2-one
CID 167814827
anthracene-9,10-dione;benzo[a]phenalen-7-one
CID 157197753
2-isoquinolin-4-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136798678
benzo[c]fluoren-7-one
CID 22413
1,4-dihydrobenzo[g]quinoxaline-2,3,5,10-tetrone
CID 121014847
4-(16-naphthalen-1-yl-12,22-dithiahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-7-yl)isoquinoline
CID 118227535

Frequently Asked Questions

What is the IUPAC name of 16-isoquinolin-4-yl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione?
The IUPAC name of 16-isoquinolin-4-yl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione (CID 122226300) is 16-isoquinolin-4-yl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione.
What is the SMILES notation for 16-isoquinolin-4-yl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione?
The canonical SMILES for 16-isoquinolin-4-yl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione is O=C1c2ccccc2-c2c(-c3cncc4ccccc34)[nH]c(=O)c3cccc1c23.
What is the InChIKey of 16-isoquinolin-4-yl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione?
The InChIKey is VNXJQDIJEJHOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14N2O2/c28-24-17-9-4-3-8-16(17)22-21-18(24)10-5-11-19(21)25(29)27-23(22)20-13-26-12-14-6-1-2-7-15(14)20/h1-13H,(H,27,29).
What are the key properties of 16-isoquinolin-4-yl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione?
16-isoquinolin-4-yl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione has a molecular weight of 374.40 g/mol, XLogP of 4.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-isoquinolin-4-yl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione is sourced from PubChem (CID 122226300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).