1-N-benzo[h]quinolin-3-yl-3-N-[7-[4-[5-[[3-[benzo[h]quinolin-3-yl(2,2-dimethylpropyl)carbamoyl]-5-[[2,2-dimethylpropyl-(5-methyl-6-phenyl-3-pyridinyl)amino]-hydroxymethyl]benzoyl]-(2,2-dimethylpropyl)amino]-3-methyl-2-pyridinyl]phenyl]benzo[h]quinolin-3-yl]-1-N,3-N,5-N-trimethyl-5-N-(5-methyl-6-phenyl-3-pyridinyl)benzene-1,3,5-tricarboxamide

C111H102N12O6 — CID 126639019

IUPAC1-N-benzo[h]quinolin-3-yl-3-N-[7-[4-[5-[[3-[benzo[h]quinolin-3-yl(2,2-dimethylpropyl)carbamoyl]-5-[[2,2-dimethylpropyl-(5-methyl-6-phenyl-3-pyridinyl)amino]-hydroxymethyl]benzoyl]-(2,2-dimethylpropyl)amino]-3-methyl-2-pyridinyl]phenyl]benzo[h]quinolin-3-yl]-1-N,3-N,5-N-trimethyl-5-N-(5-methyl-6-phenyl-3-pyridinyl)benzene-1,3,5-tricarboxamide
SMILESCc1cc(N(C)C(=O)c2cc(C(=O)N(C)c3cnc4c(ccc5ccccc54)c3)cc(C(=O)N(C)c3cnc4c(ccc5c(-c6ccc(-c7ncc(N(CC(C)(C)C)C(=O)c8cc(C(=O)N(CC(C)(C)C)c9cnc%10c(ccc%11ccccc%11%10)c9)cc(C(O)N(CC(C)(C)C)c9cnc(-c%10ccccc%10)c(C)c9)c8)cc7C)cc6)cccc54)c3)c2)cnc1-c1ccccc1
InChIInChI=1S/C111H102N12O6/c1-68-47-86(59-112-97(68)74-29-18-16-19-30-74)118(13)103(124)80-50-81(104(125)119(14)87-56-77-43-39-71-27-22-24-33-93(71)100(77)115-60-87)52-82(51-80)105(126)120(15)88-57-79-45-46-95-92(35-26-36-96(95)102(79)116-61-88)73-37-41-76(42-38-73)99-70(3)49-90(63-114-99)122(66-110(7,8)9)107(128)84-53-83(106(127)121(65-109(4,5)6)89-48-69(2)98(113-62-89)75-31-20-17-21-32-75)54-85(55-84)108(129)123(67-111(10,11)12)91-58-78-44-40-72-28-23-25-34-94(72)101(78)117-64-91/h16-64,106,127H,65-67H2,1-15H3
InChIKeyPKSNPBQNMJEDLF-UHFFFAOYSA-N
MW1700.11 g/mol
LogP24.33
Rot. Bonds20

About 1-N-benzo[h]quinolin-3-yl-3-N-[7-[4-[5-[[3-[benzo[h]quinolin-3-yl(2,2-dimethylpropyl)carbamoyl]-5-[[2,2-dimethylpropyl-(5-methyl-6-phenyl-3-pyridinyl)amino]-hydroxymethyl]benzoyl]-(2,2-dimethylpropyl)amino]-3-methyl-2-pyridinyl]phenyl]benzo[h]quinolin-3-yl]-1-N,3-N,5-N-trimethyl-5-N-(5-methyl-6-phenyl-3-pyridinyl)benzene-1,3,5-tricarboxamide

1-N-benzo[h]quinolin-3-yl-3-N-[7-[4-[5-[[3-[benzo[h]quinolin-3-yl(2,2-dimethylpropyl)carbamoyl]-5-[[2,2-dimethylpropyl-(5-methyl-6-phenyl-3-pyridinyl)amino]-hydroxymethyl]benzoyl]-(2,2-dimethylpropyl)amino]-3-methyl-2-pyridinyl]phenyl]benzo[h]quinolin-3-yl]-1-N,3-N,5-N-trimethyl-5-N-(5-methyl-6-phenyl-3-pyridinyl)benzene-1,3,5-tricarboxamide (PubChem CID 126639019) has the molecular formula C111H102N12O6 and a molecular weight of 1700.11 g/mol. Its IUPAC name is 1-N-benzo[h]quinolin-3-yl-3-N-[7-[4-[5-[[3-[benzo[h]quinolin-3-yl(2,2-dimethylpropyl)carbamoyl]-5-[[2,2-dimethylpropyl-(5-methyl-6-phenyl-3-pyridinyl)amino]-hydroxymethyl]benzoyl]-(2,2-dimethylpropyl)amino]-3-methyl-2-pyridinyl]phenyl]benzo[h]quinolin-3-yl]-1-N,3-N,5-N-trimethyl-5-N-(5-methyl-6-phenyl-3-pyridinyl)benzene-1,3,5-tricarboxamide.

Molecular Properties

Compound Name1-N-benzo[h]quinolin-3-yl-3-N-[7-[4-[5-[[3-[benzo[h]quinolin-3-yl(2,2-dimethylpropyl)carbamoyl]-5-[[2,2-dimethylpropyl-(5-methyl-6-phenyl-3-pyridinyl)amino]-hydroxymethyl]benzoyl]-(2,2-dimethylpropyl)amino]-3-methyl-2-pyridinyl]phenyl]benzo[h]quinolin-3-yl]-1-N,3-N,5-N-trimethyl-5-N-(5-methyl-6-phenyl-3-pyridinyl)benzene-1,3,5-tricarboxamide
PubChem CID126639019
Molecular FormulaC111H102N12O6
Molecular Weight1700.11 g/mol
Exact Mass1698.80
IUPAC Name1-N-benzo[h]quinolin-3-yl-3-N-[7-[4-[5-[[3-[benzo[h]quinolin-3-yl(2,2-dimethylpropyl)carbamoyl]-5-[[2,2-dimethylpropyl-(5-methyl-6-phenyl-3-pyridinyl)amino]-hydroxymethyl]benzoyl]-(2,2-dimethylpropyl)amino]-3-methyl-2-pyridinyl]phenyl]benzo[h]quinolin-3-yl]-1-N,3-N,5-N-trimethyl-5-N-(5-methyl-6-phenyl-3-pyridinyl)benzene-1,3,5-tricarboxamide
SMILESCc1cc(N(C)C(=O)c2cc(C(=O)N(C)c3cnc4c(ccc5ccccc54)c3)cc(C(=O)N(C)c3cnc4c(ccc5c(-c6ccc(-c7ncc(N(CC(C)(C)C)C(=O)c8cc(C(=O)N(CC(C)(C)C)c9cnc%10c(ccc%11ccccc%11%10)c9)cc(C(O)N(CC(C)(C)C)c9cnc(-c%10ccccc%10)c(C)c9)c8)cc7C)cc6)cccc54)c3)c2)cnc1-c1ccccc1
InChIInChI=1S/C111H102N12O6/c1-68-47-86(59-112-97(68)74-29-18-16-19-30-74)118(13)103(124)80-50-81(104(125)119(14)87-56-77-43-39-71-27-22-24-33-93(71)100(77)115-60-87)52-82(51-80)105(126)120(15)88-57-79-45-46-95-92(35-26-36-96(95)102(79)116-61-88)73-37-41-76(42-38-73)99-70(3)49-90(63-114-99)122(66-110(7,8)9)107(128)84-53-83(106(127)121(65-109(4,5)6)89-48-69(2)98(113-62-89)75-31-20-17-21-32-75)54-85(55-84)108(129)123(67-111(10,11)12)91-58-78-44-40-72-28-23-25-34-94(72)101(78)117-64-91/h16-64,106,127H,65-67H2,1-15H3
InChIKeyPKSNPBQNMJEDLF-UHFFFAOYSA-N
XLogP24.33
TPSA202.36 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001700.11
LogP ≤ 524.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-N-benzo[h]quinolin-3-yl-3-N-[7-[4-[5-[[3-[benzo[h]quinolin-3-yl(2,2-dimethylpropyl)carbamoyl]-5-[[2,2-dimethylpropyl-(5-methyl-6-phenyl-3-pyridinyl)amino]-hydroxymethyl]benzoyl]-(2,2-dimethylpropyl)amino]-3-methyl-2-pyridinyl]phenyl]benzo[h]quinolin-3-yl]-1-N,3-N,5-N-trimethyl-5-N-(5-methyl-6-phenyl-3-pyridinyl)benzene-1,3,5-tricarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N-benzo[h]quinolin-3-yl-3-N-[7-[4-[5-[[3-[benzo[h]quinolin-3-yl(2,2-dimethylpropyl)carbamoyl]-5-[[2,2-dimethylpropyl-(5-methyl-6-phenyl-3-pyridinyl)amino]-hydroxymethyl]benzoyl]-(2,2-dimethylpropyl)amino]-3-methyl-2-pyridinyl]phenyl]benzo[h]quinolin-3-yl]-1-N,3-N,5-N-trimethyl-5-N-(5-methyl-6-phenyl-3-pyridinyl)benzene-1,3,5-tricarboxamide?
The IUPAC name of 1-N-benzo[h]quinolin-3-yl-3-N-[7-[4-[5-[[3-[benzo[h]quinolin-3-yl(2,2-dimethylpropyl)carbamoyl]-5-[[2,2-dimethylpropyl-(5-methyl-6-phenyl-3-pyridinyl)amino]-hydroxymethyl]benzoyl]-(2,2-dimethylpropyl)amino]-3-methyl-2-pyridinyl]phenyl]benzo[h]quinolin-3-yl]-1-N,3-N,5-N-trimethyl-5-N-(5-methyl-6-phenyl-3-pyridinyl)benzene-1,3,5-tricarboxamide (CID 126639019) is 1-N-benzo[h]quinolin-3-yl-3-N-[7-[4-[5-[[3-[benzo[h]quinolin-3-yl(2,2-dimethylpropyl)carbamoyl]-5-[[2,2-dimethylpropyl-(5-methyl-6-phenyl-3-pyridinyl)amino]-hydroxymethyl]benzoyl]-(2,2-dimethylpropyl)amino]-3-methyl-2-pyridinyl]phenyl]benzo[h]quinolin-3-yl]-1-N,3-N,5-N-trimethyl-5-N-(5-methyl-6-phenyl-3-pyridinyl)benzene-1,3,5-tricarboxamide.
What is the SMILES notation for 1-N-benzo[h]quinolin-3-yl-3-N-[7-[4-[5-[[3-[benzo[h]quinolin-3-yl(2,2-dimethylpropyl)carbamoyl]-5-[[2,2-dimethylpropyl-(5-methyl-6-phenyl-3-pyridinyl)amino]-hydroxymethyl]benzoyl]-(2,2-dimethylpropyl)amino]-3-methyl-2-pyridinyl]phenyl]benzo[h]quinolin-3-yl]-1-N,3-N,5-N-trimethyl-5-N-(5-methyl-6-phenyl-3-pyridinyl)benzene-1,3,5-tricarboxamide?
The canonical SMILES for 1-N-benzo[h]quinolin-3-yl-3-N-[7-[4-[5-[[3-[benzo[h]quinolin-3-yl(2,2-dimethylpropyl)carbamoyl]-5-[[2,2-dimethylpropyl-(5-methyl-6-phenyl-3-pyridinyl)amino]-hydroxymethyl]benzoyl]-(2,2-dimethylpropyl)amino]-3-methyl-2-pyridinyl]phenyl]benzo[h]quinolin-3-yl]-1-N,3-N,5-N-trimethyl-5-N-(5-methyl-6-phenyl-3-pyridinyl)benzene-1,3,5-tricarboxamide is Cc1cc(N(C)C(=O)c2cc(C(=O)N(C)c3cnc4c(ccc5ccccc54)c3)cc(C(=O)N(C)c3cnc4c(ccc5c(-c6ccc(-c7ncc(N(CC(C)(C)C)C(=O)c8cc(C(=O)N(CC(C)(C)C)c9cnc%10c(ccc%11ccccc%11%10)c9)cc(C(O)N(CC(C)(C)C)c9cnc(-c%10ccccc%10)c(C)c9)c8)cc7C)cc6)cccc54)c3)c2)cnc1-c1ccccc1.
What is the InChIKey of 1-N-benzo[h]quinolin-3-yl-3-N-[7-[4-[5-[[3-[benzo[h]quinolin-3-yl(2,2-dimethylpropyl)carbamoyl]-5-[[2,2-dimethylpropyl-(5-methyl-6-phenyl-3-pyridinyl)amino]-hydroxymethyl]benzoyl]-(2,2-dimethylpropyl)amino]-3-methyl-2-pyridinyl]phenyl]benzo[h]quinolin-3-yl]-1-N,3-N,5-N-trimethyl-5-N-(5-methyl-6-phenyl-3-pyridinyl)benzene-1,3,5-tricarboxamide?
The InChIKey is PKSNPBQNMJEDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C111H102N12O6/c1-68-47-86(59-112-97(68)74-29-18-16-19-30-74)118(13)103(124)80-50-81(104(125)119(14)87-56-77-43-39-71-27-22-24-33-93(71)100(77)115-60-87)52-82(51-80)105(126)120(15)88-57-79-45-46-95-92(35-26-36-96(95)102(79)116-61-88)73-37-41-76(42-38-73)99-70(3)49-90(63-114-99)122(66-110(7,8)9)107(128)84-53-83(106(127)121(65-109(4,5)6)89-48-69(2)98(113-62-89)75-31-20-17-21-32-75)54-85(55-84)108(129)123(67-111(10,11)12)91-58-78-44-40-72-28-23-25-34-94(72)101(78)117-64-91/h16-64,106,127H,65-67H2,1-15H3.
What are the key properties of 1-N-benzo[h]quinolin-3-yl-3-N-[7-[4-[5-[[3-[benzo[h]quinolin-3-yl(2,2-dimethylpropyl)carbamoyl]-5-[[2,2-dimethylpropyl-(5-methyl-6-phenyl-3-pyridinyl)amino]-hydroxymethyl]benzoyl]-(2,2-dimethylpropyl)amino]-3-methyl-2-pyridinyl]phenyl]benzo[h]quinolin-3-yl]-1-N,3-N,5-N-trimethyl-5-N-(5-methyl-6-phenyl-3-pyridinyl)benzene-1,3,5-tricarboxamide?
1-N-benzo[h]quinolin-3-yl-3-N-[7-[4-[5-[[3-[benzo[h]quinolin-3-yl(2,2-dimethylpropyl)carbamoyl]-5-[[2,2-dimethylpropyl-(5-methyl-6-phenyl-3-pyridinyl)amino]-hydroxymethyl]benzoyl]-(2,2-dimethylpropyl)amino]-3-methyl-2-pyridinyl]phenyl]benzo[h]quinolin-3-yl]-1-N,3-N,5-N-trimethyl-5-N-(5-methyl-6-phenyl-3-pyridinyl)benzene-1,3,5-tricarboxamide has a molecular weight of 1700.11 g/mol, XLogP of 24.33, 20 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzo[h]quinolin-3-yl-3-N-[7-[4-[5-[[3-[benzo[h]quinolin-3-yl(2,2-dimethylpropyl)carbamoyl]-5-[[2,2-dimethylpropyl-(5-methyl-6-phenyl-3-pyridinyl)amino]-hydroxymethyl]benzoyl]-(2,2-dimethylpropyl)amino]-3-methyl-2-pyridinyl]phenyl]benzo[h]quinolin-3-yl]-1-N,3-N,5-N-trimethyl-5-N-(5-methyl-6-phenyl-3-pyridinyl)benzene-1,3,5-tricarboxamide is sourced from PubChem (CID 126639019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).