cinnoline;6H-cyclopenta[b]pyridine;6H-cyclopenta[c]pyridine;ethane;2H-indene;1H-indole;isoquinoline;1,5-naphthyridine;bis(1,6-naphthyridine);bis(1,7-naphthyridine);1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline;quinoline;quinoxaline

C209H259N35 — CID 157066623

IUPACcinnoline;6H-cyclopenta[b]pyridine;6H-cyclopenta[c]pyridine;ethane;2H-indene;1H-indole;isoquinoline;1,5-naphthyridine;bis(1,6-naphthyridine);bis(1,7-naphthyridine);1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline;quinoline;quinoxaline
SMILESC1=c2ccccc2=CC1.C1=c2cccnc2=CC1.C1=c2ccncc2=CC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cc2[nH]ccc2cn1.c1cc2cc[nH]c2cn1.c1cc2ccncc2cn1.c1cc2cnccc2cn1.c1ccc2[nH]ccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1cnc2[nH]ccc2c1.c1cnc2cc[nH]c2c1.c1cnc2cccnc2c1.c1cnc2ccncc2c1.c1cnc2ccncc2c1.c1cnc2cnccc2c1.c1cnc2cnccc2c1.c1cnc2ncccc2c1
InChIInChI=1S/2C9H7N.C9H8.11C8H6N2.3C8H7N.4C7H6N2.21C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-7-3-6-8(9)4-1;1-3-9-6-8-2-4-10-5-7(1)8;1-3-9-5-8-6-10-4-2-7(1)8;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;2*1-2-7-6-9-5-3-8(7)10-4-1;2*1-2-7-3-5-9-6-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;1-3-7-4-2-6-9-8(7)5-1;1-2-7-4-5-9-6-8(7)3-1;1-2-4-8-7(3-1)5-6-9-8;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;21*1-2/h2*1-7H;1-2,4-7H,3H2;11*1-6H;2*2-6H,1H2;1-6,9H;3*1-5,9H;1-5H,(H,8,9);21*1-2H3
InChIKeyABYHTPHBAFLKNM-UHFFFAOYSA-N
MW3261.62 g/mol
LogP53.11
Rot. Bonds

About cinnoline;6H-cyclopenta[b]pyridine;6H-cyclopenta[c]pyridine;ethane;2H-indene;1H-indole;isoquinoline;1,5-naphthyridine;bis(1,6-naphthyridine);bis(1,7-naphthyridine);1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline;quinoline;quinoxaline

cinnoline;6H-cyclopenta[b]pyridine;6H-cyclopenta[c]pyridine;ethane;2H-indene;1H-indole;isoquinoline;1,5-naphthyridine;bis(1,6-naphthyridine);bis(1,7-naphthyridine);1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline;quinoline;quinoxaline (PubChem CID 157066623) has the molecular formula C209H259N35 and a molecular weight of 3261.62 g/mol. Its IUPAC name is cinnoline;6H-cyclopenta[b]pyridine;6H-cyclopenta[c]pyridine;ethane;2H-indene;1H-indole;isoquinoline;1,5-naphthyridine;bis(1,6-naphthyridine);bis(1,7-naphthyridine);1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline;quinoline;quinoxaline.

Molecular Properties

Compound Namecinnoline;6H-cyclopenta[b]pyridine;6H-cyclopenta[c]pyridine;ethane;2H-indene;1H-indole;isoquinoline;1,5-naphthyridine;bis(1,6-naphthyridine);bis(1,7-naphthyridine);1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline;quinoline;quinoxaline
PubChem CID157066623
Molecular FormulaC209H259N35
Molecular Weight3261.62 g/mol
Exact Mass3259.13
IUPAC Namecinnoline;6H-cyclopenta[b]pyridine;6H-cyclopenta[c]pyridine;ethane;2H-indene;1H-indole;isoquinoline;1,5-naphthyridine;bis(1,6-naphthyridine);bis(1,7-naphthyridine);1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline;quinoline;quinoxaline
SMILESC1=c2ccccc2=CC1.C1=c2cccnc2=CC1.C1=c2ccncc2=CC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cc2[nH]ccc2cn1.c1cc2cc[nH]c2cn1.c1cc2ccncc2cn1.c1cc2cnccc2cn1.c1ccc2[nH]ccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1cnc2[nH]ccc2c1.c1cnc2cc[nH]c2c1.c1cnc2cccnc2c1.c1cnc2ccncc2c1.c1cnc2ccncc2c1.c1cnc2cnccc2c1.c1cnc2cnccc2c1.c1cnc2ncccc2c1
InChIInChI=1S/2C9H7N.C9H8.11C8H6N2.3C8H7N.4C7H6N2.21C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-7-3-6-8(9)4-1;1-3-9-6-8-2-4-10-5-7(1)8;1-3-9-5-8-6-10-4-2-7(1)8;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;2*1-2-7-6-9-5-3-8(7)10-4-1;2*1-2-7-3-5-9-6-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;1-3-7-4-2-6-9-8(7)5-1;1-2-7-4-5-9-6-8(7)3-1;1-2-4-8-7(3-1)5-6-9-8;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;21*1-2/h2*1-7H;1-2,4-7H,3H2;11*1-6H;2*2-6H,1H2;1-6,9H;3*1-5,9H;1-5H,(H,8,9);21*1-2H3
InChIKeyABYHTPHBAFLKNM-UHFFFAOYSA-N
XLogP53.11
TPSA465.65 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds
Heavy Atoms244
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003261.62
LogP ≤ 553.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Analyze cinnoline;6H-cyclopenta[b]pyridine;6H-cyclopenta[c]pyridine;ethane;2H-indene;1H-indole;isoquinoline;1,5-naphthyridine;bis(1,6-naphthyridine);bis(1,7-naphthyridine);1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline;quinoline;quinoxaline with MolForge

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Related Compounds

(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1,1-bis(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indole
CID 71459516
4-(3-(4-methyl-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)isoquinoline
CID 135497852
N-ethyl-N-((2-(5-(isoquinolin-4-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzo[d]imidazol-4-yl)methyl)ethanamine
CID 135497855
N-((2-(5-(isoquinolin-4-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzo[d]imidazol-4-yl)methyl)propan-2-amine
CID 135497865
4-(3-(5-(4-methylpiperazin-1-yl)-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)isoquinoline
CID 135497876
US11459329, Example 9
CID 148616879
5-(1H-benzimidazol-2-yl)-3-methyl-1,6-diphenyl-4-pyridin-4-ylpyrazolo[3,4-b]pyridine
CID 17549905
1-[[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 58514979
1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 58514982
3-(2-amino-3H-benzimidazol-5-yl)-1-[[2-(2-methylphenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 58515047
US10696655, Example 75
CID 132181794
US10544143, Example 73
CID 138686806

Frequently Asked Questions

What is the IUPAC name of cinnoline;6H-cyclopenta[b]pyridine;6H-cyclopenta[c]pyridine;ethane;2H-indene;1H-indole;isoquinoline;1,5-naphthyridine;bis(1,6-naphthyridine);bis(1,7-naphthyridine);1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline;quinoline;quinoxaline?
The IUPAC name of cinnoline;6H-cyclopenta[b]pyridine;6H-cyclopenta[c]pyridine;ethane;2H-indene;1H-indole;isoquinoline;1,5-naphthyridine;bis(1,6-naphthyridine);bis(1,7-naphthyridine);1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline;quinoline;quinoxaline (CID 157066623) is cinnoline;6H-cyclopenta[b]pyridine;6H-cyclopenta[c]pyridine;ethane;2H-indene;1H-indole;isoquinoline;1,5-naphthyridine;bis(1,6-naphthyridine);bis(1,7-naphthyridine);1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline;quinoline;quinoxaline.
What is the SMILES notation for cinnoline;6H-cyclopenta[b]pyridine;6H-cyclopenta[c]pyridine;ethane;2H-indene;1H-indole;isoquinoline;1,5-naphthyridine;bis(1,6-naphthyridine);bis(1,7-naphthyridine);1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline;quinoline;quinoxaline?
The canonical SMILES for cinnoline;6H-cyclopenta[b]pyridine;6H-cyclopenta[c]pyridine;ethane;2H-indene;1H-indole;isoquinoline;1,5-naphthyridine;bis(1,6-naphthyridine);bis(1,7-naphthyridine);1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline;quinoline;quinoxaline is C1=c2ccccc2=CC1.C1=c2cccnc2=CC1.C1=c2ccncc2=CC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cc2[nH]ccc2cn1.c1cc2cc[nH]c2cn1.c1cc2ccncc2cn1.c1cc2cnccc2cn1.c1ccc2[nH]ccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1cnc2[nH]ccc2c1.c1cnc2cc[nH]c2c1.c1cnc2cccnc2c1.c1cnc2ccncc2c1.c1cnc2ccncc2c1.c1cnc2cnccc2c1.c1cnc2cnccc2c1.c1cnc2ncccc2c1.
What is the InChIKey of cinnoline;6H-cyclopenta[b]pyridine;6H-cyclopenta[c]pyridine;ethane;2H-indene;1H-indole;isoquinoline;1,5-naphthyridine;bis(1,6-naphthyridine);bis(1,7-naphthyridine);1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline;quinoline;quinoxaline?
The InChIKey is ABYHTPHBAFLKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7N.C9H8.11C8H6N2.3C8H7N.4C7H6N2.21C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-7-3-6-8(9)4-1;1-3-9-6-8-2-4-10-5-7(1)8;1-3-9-5-8-6-10-4-2-7(1)8;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;2*1-2-7-6-9-5-3-8(7)10-4-1;2*1-2-7-3-5-9-6-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;1-3-7-4-2-6-9-8(7)5-1;1-2-7-4-5-9-6-8(7)3-1;1-2-4-8-7(3-1)5-6-9-8;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;21*1-2/h2*1-7H;1-2,4-7H,3H2;11*1-6H;2*2-6H,1H2;1-6,9H;3*1-5,9H;1-5H,(H,8,9);21*1-2H3.
What are the key properties of cinnoline;6H-cyclopenta[b]pyridine;6H-cyclopenta[c]pyridine;ethane;2H-indene;1H-indole;isoquinoline;1,5-naphthyridine;bis(1,6-naphthyridine);bis(1,7-naphthyridine);1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline;quinoline;quinoxaline?
cinnoline;6H-cyclopenta[b]pyridine;6H-cyclopenta[c]pyridine;ethane;2H-indene;1H-indole;isoquinoline;1,5-naphthyridine;bis(1,6-naphthyridine);bis(1,7-naphthyridine);1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline;quinoline;quinoxaline has a molecular weight of 3261.62 g/mol, XLogP of 53.11, 0 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for cinnoline;6H-cyclopenta[b]pyridine;6H-cyclopenta[c]pyridine;ethane;2H-indene;1H-indole;isoquinoline;1,5-naphthyridine;bis(1,6-naphthyridine);bis(1,7-naphthyridine);1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline;quinoline;quinoxaline is sourced from PubChem (CID 157066623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).