4-[4-[2-oxo-4-[3-[2-oxo-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]quinolin-6-yl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]benzamide

C68H42F6N8O3 — CID 123807972

IUPAC4-[4-[2-oxo-4-[3-[2-oxo-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]quinolin-6-yl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(-n3c(=O)cc(-c4ccc5ncc(-c6ccc7ncc8ccc(=O)n(-c9ccc(C%10=CCNCC%10)c(C(F)(F)F)c9)c8c7c6)cc5c4)c4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)cc1
InChIInChI=1S/C68H42F6N8O3/c69-67(70,71)56-31-49(14-15-50(56)37-5-7-39(8-6-37)66(75)85)82-63(84)32-52(55-36-80-61-19-10-41(29-54(61)65(55)82)46-26-43-3-1-2-4-58(43)77-34-46)42-11-17-59-45(25-42)27-47(35-78-59)40-9-18-60-53(28-40)64-44(33-79-60)12-20-62(83)81(64)48-13-16-51(38-21-23-76-24-22-38)57(30-48)68(72,73)74/h1-21,25-36,76H,22-24H2,(H2,75,85)
InChIKeyFNHIEUIAVRFSPA-UHFFFAOYSA-N
MW1133.13 g/mol
LogP14.67
Rot. Bonds8

About 4-[4-[2-oxo-4-[3-[2-oxo-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]quinolin-6-yl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]benzamide

4-[4-[2-oxo-4-[3-[2-oxo-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]quinolin-6-yl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]benzamide (PubChem CID 123807972) has the molecular formula C68H42F6N8O3 and a molecular weight of 1133.13 g/mol. Its IUPAC name is 4-[4-[2-oxo-4-[3-[2-oxo-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]quinolin-6-yl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[4-[2-oxo-4-[3-[2-oxo-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]quinolin-6-yl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]benzamide
PubChem CID123807972
Molecular FormulaC68H42F6N8O3
Molecular Weight1133.13 g/mol
Exact Mass1132.33
IUPAC Name4-[4-[2-oxo-4-[3-[2-oxo-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]quinolin-6-yl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(-n3c(=O)cc(-c4ccc5ncc(-c6ccc7ncc8ccc(=O)n(-c9ccc(C%10=CCNCC%10)c(C(F)(F)F)c9)c8c7c6)cc5c4)c4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)cc1
InChIInChI=1S/C68H42F6N8O3/c69-67(70,71)56-31-49(14-15-50(56)37-5-7-39(8-6-37)66(75)85)82-63(84)32-52(55-36-80-61-19-10-41(29-54(61)65(55)82)46-26-43-3-1-2-4-58(43)77-34-46)42-11-17-59-45(25-42)27-47(35-78-59)40-9-18-60-53(28-40)64-44(33-79-60)12-20-62(83)81(64)48-13-16-51(38-21-23-76-24-22-38)57(30-48)68(72,73)74/h1-21,25-36,76H,22-24H2,(H2,75,85)
InChIKeyFNHIEUIAVRFSPA-UHFFFAOYSA-N
XLogP14.67
TPSA150.68 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001133.13
LogP ≤ 514.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-[4-[2-oxo-4-[3-[2-oxo-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]quinolin-6-yl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]benzamide with MolForge

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Related Compounds

4-methyl-3-(2-(quinolin-3-yl)ethynyl)-N-(3-(trifluoromethyl)-phenyl)benzamide
CID 16109040
1-(4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl)-9-(quinolin-3-yl)benzo(h)(1,6)naphthyridin-2(1H)-one
CID 49836027
XR-9577
CID 15950351
4-methyl-N-(2-methyl-3-(trifluoromethyl)phenyl)-3-(2-(1-methylpiperidin-4-ylamino)quinazolin-6-yl)benzamide
CID 16086077
1-(4-(4-(2-(4-methylpiperazin-1-yl)acetyl)piperazin-1-yl)-3-(trifluoromethyl)phenyl)-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 49780813
N-cyclopropyl-3-[3-[5-oxo-4-(quinolin-4-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
CID 53492946
N-[3-(dimethylamino)propyl]-3-[3-[5-oxo-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
CID 53492947
Quinolinium, 6-amino-1-methyl-4-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)carbamoyl)anilino)-3-phenyl-, dibromide
CID 3052459
4-[2-methyl-4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 53308042
6-methyl-N,2-di-4-pyridinyl-4-quinolinecarboxamide
CID 899146
N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-(4-pyridin-4-ylnaphthalen-1-yl)acetamide
CID 9913344
8-methyl-N-[3-[methyl-[3-[(8-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide
CID 10603394

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-oxo-4-[3-[2-oxo-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]quinolin-6-yl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-[4-[2-oxo-4-[3-[2-oxo-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]quinolin-6-yl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]benzamide (CID 123807972) is 4-[4-[2-oxo-4-[3-[2-oxo-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]quinolin-6-yl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-[4-[2-oxo-4-[3-[2-oxo-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]quinolin-6-yl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-[4-[2-oxo-4-[3-[2-oxo-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]quinolin-6-yl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]benzamide is NC(=O)c1ccc(-c2ccc(-n3c(=O)cc(-c4ccc5ncc(-c6ccc7ncc8ccc(=O)n(-c9ccc(C%10=CCNCC%10)c(C(F)(F)F)c9)c8c7c6)cc5c4)c4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)cc1.
What is the InChIKey of 4-[4-[2-oxo-4-[3-[2-oxo-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]quinolin-6-yl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is FNHIEUIAVRFSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42F6N8O3/c69-67(70,71)56-31-49(14-15-50(56)37-5-7-39(8-6-37)66(75)85)82-63(84)32-52(55-36-80-61-19-10-41(29-54(61)65(55)82)46-26-43-3-1-2-4-58(43)77-34-46)42-11-17-59-45(25-42)27-47(35-78-59)40-9-18-60-53(28-40)64-44(33-79-60)12-20-62(83)81(64)48-13-16-51(38-21-23-76-24-22-38)57(30-48)68(72,73)74/h1-21,25-36,76H,22-24H2,(H2,75,85).
What are the key properties of 4-[4-[2-oxo-4-[3-[2-oxo-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]quinolin-6-yl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]benzamide?
4-[4-[2-oxo-4-[3-[2-oxo-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]quinolin-6-yl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 1133.13 g/mol, XLogP of 14.67, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-oxo-4-[3-[2-oxo-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]quinolin-6-yl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 123807972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).