cinnoline;4-cinnolin-3-yl-5-isoquinolin-1-yl-6-quinolin-2-yl-1,2,3-benzotriazine;isoquinoline;phthalazine;quinazoline;quinoline;quinoxaline

C83H57N17 — CID 173045101

IUPACcinnoline;4-cinnolin-3-yl-5-isoquinolin-1-yl-6-quinolin-2-yl-1,2,3-benzotriazine;isoquinoline;phthalazine;quinazoline;quinoline;quinoxaline
SMILESc1ccc2cnccc2c1.c1ccc2cnncc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnc(-c3nnnc4ccc(-c5ccc6ccccc6n5)c(-c5nccc6ccccc56)c34)cc2c1.c1ccc2nnccc2c1
InChIInChI=1S/C33H19N7.2C9H7N.4C8H6N2/c1-4-10-23-20(7-1)17-18-34-32(23)30-24(27-15-13-21-8-2-5-11-25(21)35-27)14-16-28-31(30)33(39-40-38-28)29-19-22-9-3-6-12-26(22)36-37-29;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8/h1-19H;2*1-7H;4*1-6H
InChIKeyRJVOFXGYZIXNPB-UHFFFAOYSA-N
MW1292.49 g/mol
LogP18.05
Rot. Bonds3

About cinnoline;4-cinnolin-3-yl-5-isoquinolin-1-yl-6-quinolin-2-yl-1,2,3-benzotriazine;isoquinoline;phthalazine;quinazoline;quinoline;quinoxaline

cinnoline;4-cinnolin-3-yl-5-isoquinolin-1-yl-6-quinolin-2-yl-1,2,3-benzotriazine;isoquinoline;phthalazine;quinazoline;quinoline;quinoxaline (PubChem CID 173045101) has the molecular formula C83H57N17 and a molecular weight of 1292.49 g/mol. Its IUPAC name is cinnoline;4-cinnolin-3-yl-5-isoquinolin-1-yl-6-quinolin-2-yl-1,2,3-benzotriazine;isoquinoline;phthalazine;quinazoline;quinoline;quinoxaline.

Molecular Properties

Compound Namecinnoline;4-cinnolin-3-yl-5-isoquinolin-1-yl-6-quinolin-2-yl-1,2,3-benzotriazine;isoquinoline;phthalazine;quinazoline;quinoline;quinoxaline
PubChem CID173045101
Molecular FormulaC83H57N17
Molecular Weight1292.49 g/mol
Exact Mass1291.50
IUPAC Namecinnoline;4-cinnolin-3-yl-5-isoquinolin-1-yl-6-quinolin-2-yl-1,2,3-benzotriazine;isoquinoline;phthalazine;quinazoline;quinoline;quinoxaline
SMILESc1ccc2cnccc2c1.c1ccc2cnncc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnc(-c3nnnc4ccc(-c5ccc6ccccc6n5)c(-c5nccc6ccccc56)c34)cc2c1.c1ccc2nnccc2c1
InChIInChI=1S/C33H19N7.2C9H7N.4C8H6N2/c1-4-10-23-20(7-1)17-18-34-32(23)30-24(27-15-13-21-8-2-5-11-25(21)35-27)14-16-28-31(30)33(39-40-38-28)29-19-22-9-3-6-12-26(22)36-37-29;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8/h1-19H;2*1-7H;4*1-6H
InChIKeyRJVOFXGYZIXNPB-UHFFFAOYSA-N
XLogP18.05
TPSA219.13 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds3
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001292.49
LogP ≤ 518.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze cinnoline;4-cinnolin-3-yl-5-isoquinolin-1-yl-6-quinolin-2-yl-1,2,3-benzotriazine;isoquinoline;phthalazine;quinazoline;quinoline;quinoxaline with MolForge

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Related Compounds

cinnoline;ethane;isoquinoline;naphthalene;quinazoline;quinoline;quinoxaline
CID 158080804
cinnoline;ethane;isoquinoline;naphthalene;1,5-naphthyridine;1,8-naphthyridine;quinazoline;quinoline;quinoxaline
CID 158115391
cinnoline;isoquinoline;phthalazine
CID 142014837
cinnoline;ethane;isoquinoline;1,8-naphthyridine;phthalazine;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroisoquinoline;5,6,7,8-tetrahydroquinoline
CID 162034088
acridine;isoquinoline;phenanthridine;quinoline
CID 159436284
1,2,3-benzotriazine;1,2,4-benzotriazine;isoquinoline;methane;nonadecakis(2-methylpropane);bis(1,6-naphthyridine);tetrakis(1,7-naphthyridine);1,8-naphthyridine;bis(2,6-naphthyridine);tris(2,7-naphthyridine);3-propan-2-yl-1,2,4-benzotriazine;1-propan-2-ylphthalazine;pyrido[3,4-b]pyrazine;quinoline;quinoxaline
CID 167584846
cinnoline;imidazo[1,2-c]pyrimidine;isoquinoline;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phthalazine;pyrazino[2,3-b]pyrazine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;pyrimido[4,5-d]pyrimidine;pyrimido[5,4-d]pyrimidine;quinazoline;quinoline;quinoxaline
CID 162065548
7-isoquinolin-1-yl-6-phthalazin-1-yl-4-quinazolin-2-yl-8-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine
CID 141186223
6-phthalazin-1-yl-4-quinazolin-2-yl-7-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine
CID 141186214
1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phthalazine;pyrazino[2,3-b]pyrazine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;pyrimido[4,5-d]pyrimidine;pyrimido[5,4-d]pyrimidine;quinoxaline
CID 162024202
1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phthalazine;pteridine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;pyrimido[4,5-d]pyrimidine;pyrimido[5,4-d]pyrimidine;quinazoline;quinoxaline
CID 167559744
1-(5-pyridazin-3-yl-3-quinolin-2-ylpyrazin-2-yl)isoquinoline
CID 54062793

Frequently Asked Questions

What is the IUPAC name of cinnoline;4-cinnolin-3-yl-5-isoquinolin-1-yl-6-quinolin-2-yl-1,2,3-benzotriazine;isoquinoline;phthalazine;quinazoline;quinoline;quinoxaline?
The IUPAC name of cinnoline;4-cinnolin-3-yl-5-isoquinolin-1-yl-6-quinolin-2-yl-1,2,3-benzotriazine;isoquinoline;phthalazine;quinazoline;quinoline;quinoxaline (CID 173045101) is cinnoline;4-cinnolin-3-yl-5-isoquinolin-1-yl-6-quinolin-2-yl-1,2,3-benzotriazine;isoquinoline;phthalazine;quinazoline;quinoline;quinoxaline.
What is the SMILES notation for cinnoline;4-cinnolin-3-yl-5-isoquinolin-1-yl-6-quinolin-2-yl-1,2,3-benzotriazine;isoquinoline;phthalazine;quinazoline;quinoline;quinoxaline?
The canonical SMILES for cinnoline;4-cinnolin-3-yl-5-isoquinolin-1-yl-6-quinolin-2-yl-1,2,3-benzotriazine;isoquinoline;phthalazine;quinazoline;quinoline;quinoxaline is c1ccc2cnccc2c1.c1ccc2cnncc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnc(-c3nnnc4ccc(-c5ccc6ccccc6n5)c(-c5nccc6ccccc56)c34)cc2c1.c1ccc2nnccc2c1.
What is the InChIKey of cinnoline;4-cinnolin-3-yl-5-isoquinolin-1-yl-6-quinolin-2-yl-1,2,3-benzotriazine;isoquinoline;phthalazine;quinazoline;quinoline;quinoxaline?
The InChIKey is RJVOFXGYZIXNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H19N7.2C9H7N.4C8H6N2/c1-4-10-23-20(7-1)17-18-34-32(23)30-24(27-15-13-21-8-2-5-11-25(21)35-27)14-16-28-31(30)33(39-40-38-28)29-19-22-9-3-6-12-26(22)36-37-29;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8/h1-19H;2*1-7H;4*1-6H.
What are the key properties of cinnoline;4-cinnolin-3-yl-5-isoquinolin-1-yl-6-quinolin-2-yl-1,2,3-benzotriazine;isoquinoline;phthalazine;quinazoline;quinoline;quinoxaline?
cinnoline;4-cinnolin-3-yl-5-isoquinolin-1-yl-6-quinolin-2-yl-1,2,3-benzotriazine;isoquinoline;phthalazine;quinazoline;quinoline;quinoxaline has a molecular weight of 1292.49 g/mol, XLogP of 18.05, 3 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for cinnoline;4-cinnolin-3-yl-5-isoquinolin-1-yl-6-quinolin-2-yl-1,2,3-benzotriazine;isoquinoline;phthalazine;quinazoline;quinoline;quinoxaline is sourced from PubChem (CID 173045101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).