N-[2-[4-acetamido-2-[[5-[[1-[2-(acridine-9-carbonylamino)acetyl]-5-carbamoylpyrrolidin-3-yl]carbamoyl]-1-[2-(10H-indolo[3,2-b]quinoline-11-carbonylamino)acetyl]pyrrolidin-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-10H-indolo[3,2-b]quinoline-11-carboxamide

C69H61N15O10 — CID 25235008

IUPACN-[2-[4-acetamido-2-[[5-[[1-[2-(acridine-9-carbonylamino)acetyl]-5-carbamoylpyrrolidin-3-yl]carbamoyl]-1-[2-(10H-indolo[3,2-b]quinoline-11-carbonylamino)acetyl]pyrrolidin-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-10H-indolo[3,2-b]quinoline-11-carboxamide
SMILESCC(=O)NC1CC(C(=O)NC2CC(C(=O)NC3CC(C(N)=O)N(C(=O)CNC(=O)c4c5ccccc5nc5ccccc45)C3)N(C(=O)CNC(=O)c3c4ccccc4nc4c3[nH]c3ccccc34)C2)N(C(=O)CNC(=O)c2c3ccccc3nc3c2[nH]c2ccccc23)C1
InChIInChI=1S/C69H61N15O10/c1-35(85)74-36-27-52(83(32-36)55(87)30-72-68(93)58-41-16-4-10-22-47(41)78-60-43-18-6-12-24-49(43)80-62(58)60)65(90)76-38-28-53(84(34-38)56(88)31-73-69(94)59-42-17-5-11-23-48(42)79-61-44-19-7-13-25-50(44)81-63(59)61)66(91)75-37-26-51(64(70)89)82(33-37)54(86)29-71-67(92)57-39-14-2-8-20-45(39)77-46-21-9-3-15-40(46)57/h2-25,36-38,51-53,80-81H,26-34H2,1H3,(H2,70,89)(H,71,92)(H,72,93)(H,73,94)(H,74,85)(H,75,91)(H,76,90)
InChIKeyKQNQQIMTJUWJGV-UHFFFAOYSA-N
MW1260.34 g/mol
LogP4.11
Rot. Bonds15

About N-[2-[4-acetamido-2-[[5-[[1-[2-(acridine-9-carbonylamino)acetyl]-5-carbamoylpyrrolidin-3-yl]carbamoyl]-1-[2-(10H-indolo[3,2-b]quinoline-11-carbonylamino)acetyl]pyrrolidin-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-10H-indolo[3,2-b]quinoline-11-carboxamide

N-[2-[4-acetamido-2-[[5-[[1-[2-(acridine-9-carbonylamino)acetyl]-5-carbamoylpyrrolidin-3-yl]carbamoyl]-1-[2-(10H-indolo[3,2-b]quinoline-11-carbonylamino)acetyl]pyrrolidin-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-10H-indolo[3,2-b]quinoline-11-carboxamide (PubChem CID 25235008) has the molecular formula C69H61N15O10 and a molecular weight of 1260.34 g/mol. Its IUPAC name is N-[2-[4-acetamido-2-[[5-[[1-[2-(acridine-9-carbonylamino)acetyl]-5-carbamoylpyrrolidin-3-yl]carbamoyl]-1-[2-(10H-indolo[3,2-b]quinoline-11-carbonylamino)acetyl]pyrrolidin-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-10H-indolo[3,2-b]quinoline-11-carboxamide.

Molecular Properties

Compound NameN-[2-[4-acetamido-2-[[5-[[1-[2-(acridine-9-carbonylamino)acetyl]-5-carbamoylpyrrolidin-3-yl]carbamoyl]-1-[2-(10H-indolo[3,2-b]quinoline-11-carbonylamino)acetyl]pyrrolidin-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-10H-indolo[3,2-b]quinoline-11-carboxamide
PubChem CID25235008
Molecular FormulaC69H61N15O10
Molecular Weight1260.34 g/mol
Exact Mass1259.47
IUPAC NameN-[2-[4-acetamido-2-[[5-[[1-[2-(acridine-9-carbonylamino)acetyl]-5-carbamoylpyrrolidin-3-yl]carbamoyl]-1-[2-(10H-indolo[3,2-b]quinoline-11-carbonylamino)acetyl]pyrrolidin-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-10H-indolo[3,2-b]quinoline-11-carboxamide
SMILESCC(=O)NC1CC(C(=O)NC2CC(C(=O)NC3CC(C(N)=O)N(C(=O)CNC(=O)c4c5ccccc5nc5ccccc45)C3)N(C(=O)CNC(=O)c3c4ccccc4nc4c3[nH]c3ccccc34)C2)N(C(=O)CNC(=O)c2c3ccccc3nc3c2[nH]c2ccccc23)C1
InChIInChI=1S/C69H61N15O10/c1-35(85)74-36-27-52(83(32-36)55(87)30-72-68(93)58-41-16-4-10-22-47(41)78-60-43-18-6-12-24-49(43)80-62(58)60)65(90)76-38-28-53(84(34-38)56(88)31-73-69(94)59-42-17-5-11-23-48(42)79-61-44-19-7-13-25-50(44)81-63(59)61)66(91)75-37-26-51(64(70)89)82(33-37)54(86)29-71-67(92)57-39-14-2-8-20-45(39)77-46-21-9-3-15-40(46)57/h2-25,36-38,51-53,80-81H,26-34H2,1H3,(H2,70,89)(H,71,92)(H,72,93)(H,73,94)(H,74,85)(H,75,91)(H,76,90)
InChIKeyKQNQQIMTJUWJGV-UHFFFAOYSA-N
XLogP4.11
TPSA348.87 Ų
H-Bond Donors9
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001260.34
LogP ≤ 54.11
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-[2-[4-acetamido-2-[[5-[[1-[2-(acridine-9-carbonylamino)acetyl]-5-carbamoylpyrrolidin-3-yl]carbamoyl]-1-[2-(10H-indolo[3,2-b]quinoline-11-carbonylamino)acetyl]pyrrolidin-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-10H-indolo[3,2-b]quinoline-11-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-acetamido-2-[[5-[[1-[2-(acridine-9-carbonylamino)acetyl]-5-carbamoylpyrrolidin-3-yl]carbamoyl]-1-[2-(10H-indolo[3,2-b]quinoline-11-carbonylamino)acetyl]pyrrolidin-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-10H-indolo[3,2-b]quinoline-11-carboxamide?
The IUPAC name of N-[2-[4-acetamido-2-[[5-[[1-[2-(acridine-9-carbonylamino)acetyl]-5-carbamoylpyrrolidin-3-yl]carbamoyl]-1-[2-(10H-indolo[3,2-b]quinoline-11-carbonylamino)acetyl]pyrrolidin-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-10H-indolo[3,2-b]quinoline-11-carboxamide (CID 25235008) is N-[2-[4-acetamido-2-[[5-[[1-[2-(acridine-9-carbonylamino)acetyl]-5-carbamoylpyrrolidin-3-yl]carbamoyl]-1-[2-(10H-indolo[3,2-b]quinoline-11-carbonylamino)acetyl]pyrrolidin-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-10H-indolo[3,2-b]quinoline-11-carboxamide.
What is the SMILES notation for N-[2-[4-acetamido-2-[[5-[[1-[2-(acridine-9-carbonylamino)acetyl]-5-carbamoylpyrrolidin-3-yl]carbamoyl]-1-[2-(10H-indolo[3,2-b]quinoline-11-carbonylamino)acetyl]pyrrolidin-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-10H-indolo[3,2-b]quinoline-11-carboxamide?
The canonical SMILES for N-[2-[4-acetamido-2-[[5-[[1-[2-(acridine-9-carbonylamino)acetyl]-5-carbamoylpyrrolidin-3-yl]carbamoyl]-1-[2-(10H-indolo[3,2-b]quinoline-11-carbonylamino)acetyl]pyrrolidin-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-10H-indolo[3,2-b]quinoline-11-carboxamide is CC(=O)NC1CC(C(=O)NC2CC(C(=O)NC3CC(C(N)=O)N(C(=O)CNC(=O)c4c5ccccc5nc5ccccc45)C3)N(C(=O)CNC(=O)c3c4ccccc4nc4c3[nH]c3ccccc34)C2)N(C(=O)CNC(=O)c2c3ccccc3nc3c2[nH]c2ccccc23)C1.
What is the InChIKey of N-[2-[4-acetamido-2-[[5-[[1-[2-(acridine-9-carbonylamino)acetyl]-5-carbamoylpyrrolidin-3-yl]carbamoyl]-1-[2-(10H-indolo[3,2-b]quinoline-11-carbonylamino)acetyl]pyrrolidin-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-10H-indolo[3,2-b]quinoline-11-carboxamide?
The InChIKey is KQNQQIMTJUWJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H61N15O10/c1-35(85)74-36-27-52(83(32-36)55(87)30-72-68(93)58-41-16-4-10-22-47(41)78-60-43-18-6-12-24-49(43)80-62(58)60)65(90)76-38-28-53(84(34-38)56(88)31-73-69(94)59-42-17-5-11-23-48(42)79-61-44-19-7-13-25-50(44)81-63(59)61)66(91)75-37-26-51(64(70)89)82(33-37)54(86)29-71-67(92)57-39-14-2-8-20-45(39)77-46-21-9-3-15-40(46)57/h2-25,36-38,51-53,80-81H,26-34H2,1H3,(H2,70,89)(H,71,92)(H,72,93)(H,73,94)(H,74,85)(H,75,91)(H,76,90).
What are the key properties of N-[2-[4-acetamido-2-[[5-[[1-[2-(acridine-9-carbonylamino)acetyl]-5-carbamoylpyrrolidin-3-yl]carbamoyl]-1-[2-(10H-indolo[3,2-b]quinoline-11-carbonylamino)acetyl]pyrrolidin-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-10H-indolo[3,2-b]quinoline-11-carboxamide?
N-[2-[4-acetamido-2-[[5-[[1-[2-(acridine-9-carbonylamino)acetyl]-5-carbamoylpyrrolidin-3-yl]carbamoyl]-1-[2-(10H-indolo[3,2-b]quinoline-11-carbonylamino)acetyl]pyrrolidin-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-10H-indolo[3,2-b]quinoline-11-carboxamide has a molecular weight of 1260.34 g/mol, XLogP of 4.11, 15 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-acetamido-2-[[5-[[1-[2-(acridine-9-carbonylamino)acetyl]-5-carbamoylpyrrolidin-3-yl]carbamoyl]-1-[2-(10H-indolo[3,2-b]quinoline-11-carbonylamino)acetyl]pyrrolidin-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-10H-indolo[3,2-b]quinoline-11-carboxamide is sourced from PubChem (CID 25235008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).