N-[3-[3-[[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]amino]-3-oxopropyl]phenyl]benzamide

C35H43N3O3 — CID 67875111

IUPACN-[3-[3-[[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]amino]-3-oxopropyl]phenyl]benzamide
SMILESCN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)C(NC(=O)CCc5cccc(NC(=O)c6ccccc6)c5)CC[C@H]4[C@@H]3CC[C@@H]12
InChIInChI=1S/C35H43N3O3/c1-34-20-18-28-26(13-16-30-35(28,2)21-19-32(40)38(30)3)27(34)14-15-29(34)37-31(39)17-12-23-8-7-11-25(22-23)36-33(41)24-9-5-4-6-10-24/h4-11,19,21-22,26-30H,12-18,20H2,1-3H3,(H,36,41)(H,37,39)/t26-,27-,28-,29?,30+,34-,35+/m0/s1
InChIKeyDADKGUWMXKXVLW-SGLYFQCISA-N
MW553.75 g/mol
LogP6.00
Rot. Bonds6

About N-[3-[3-[[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]amino]-3-oxopropyl]phenyl]benzamide

N-[3-[3-[[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]amino]-3-oxopropyl]phenyl]benzamide (PubChem CID 67875111) has the molecular formula C35H43N3O3 and a molecular weight of 553.75 g/mol. Its IUPAC name is N-[3-[3-[[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]amino]-3-oxopropyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[3-[[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]amino]-3-oxopropyl]phenyl]benzamide
PubChem CID67875111
Molecular FormulaC35H43N3O3
Molecular Weight553.75 g/mol
Exact Mass553.33
IUPAC NameN-[3-[3-[[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]amino]-3-oxopropyl]phenyl]benzamide
SMILESCN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)C(NC(=O)CCc5cccc(NC(=O)c6ccccc6)c5)CC[C@H]4[C@@H]3CC[C@@H]12
InChIInChI=1S/C35H43N3O3/c1-34-20-18-28-26(13-16-30-35(28,2)21-19-32(40)38(30)3)27(34)14-15-29(34)37-31(39)17-12-23-8-7-11-25(22-23)36-33(41)24-9-5-4-6-10-24/h4-11,19,21-22,26-30H,12-18,20H2,1-3H3,(H,36,41)(H,37,39)/t26-,27-,28-,29?,30+,34-,35+/m0/s1
InChIKeyDADKGUWMXKXVLW-SGLYFQCISA-N
XLogP6.00
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.75
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[3-[[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]amino]-3-oxopropyl]phenyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]amino]-3-oxopropyl]phenyl]benzamide?
The IUPAC name of N-[3-[3-[[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]amino]-3-oxopropyl]phenyl]benzamide (CID 67875111) is N-[3-[3-[[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]amino]-3-oxopropyl]phenyl]benzamide.
What is the SMILES notation for N-[3-[3-[[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]amino]-3-oxopropyl]phenyl]benzamide?
The canonical SMILES for N-[3-[3-[[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]amino]-3-oxopropyl]phenyl]benzamide is CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)C(NC(=O)CCc5cccc(NC(=O)c6ccccc6)c5)CC[C@H]4[C@@H]3CC[C@@H]12.
What is the InChIKey of N-[3-[3-[[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]amino]-3-oxopropyl]phenyl]benzamide?
The InChIKey is DADKGUWMXKXVLW-SGLYFQCISA-N. The full InChI is InChI=1S/C35H43N3O3/c1-34-20-18-28-26(13-16-30-35(28,2)21-19-32(40)38(30)3)27(34)14-15-29(34)37-31(39)17-12-23-8-7-11-25(22-23)36-33(41)24-9-5-4-6-10-24/h4-11,19,21-22,26-30H,12-18,20H2,1-3H3,(H,36,41)(H,37,39)/t26-,27-,28-,29?,30+,34-,35+/m0/s1.
What are the key properties of N-[3-[3-[[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]amino]-3-oxopropyl]phenyl]benzamide?
N-[3-[3-[[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]amino]-3-oxopropyl]phenyl]benzamide has a molecular weight of 553.75 g/mol, XLogP of 6.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]amino]-3-oxopropyl]phenyl]benzamide is sourced from PubChem (CID 67875111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).