N-[(1R,2S)-2-[(3aS,4R,9bR)-4-(methoxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinoline-1-carbonyl]cyclohexyl]-1H-indole-5-carboxamide

C29H34N4O3 — CID 67150414

IUPACN-[(1R,2S)-2-[(3aS,4R,9bR)-4-(methoxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinoline-1-carbonyl]cyclohexyl]-1H-indole-5-carboxamide
SMILESCOC[C@@H]1Nc2ccccc2[C@H]2[C@H]1CCN2C(=O)[C@H]1CCCC[C@H]1NC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C29H34N4O3/c1-36-17-26-21-13-15-33(27(21)20-6-2-4-8-24(20)31-26)29(35)22-7-3-5-9-25(22)32-28(34)19-10-11-23-18(16-19)12-14-30-23/h2,4,6,8,10-12,14,16,21-22,25-27,30-31H,3,5,7,9,13,15,17H2,1H3,(H,32,34)/t21-,22-,25+,26-,27-/m0/s1
InChIKeyMFMFZTZYOJWCLI-HPORTXTCSA-N
MW486.62 g/mol
LogP4.49
Rot. Bonds5

About N-[(1R,2S)-2-[(3aS,4R,9bR)-4-(methoxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinoline-1-carbonyl]cyclohexyl]-1H-indole-5-carboxamide

N-[(1R,2S)-2-[(3aS,4R,9bR)-4-(methoxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinoline-1-carbonyl]cyclohexyl]-1H-indole-5-carboxamide (PubChem CID 67150414) has the molecular formula C29H34N4O3 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-[(1R,2S)-2-[(3aS,4R,9bR)-4-(methoxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinoline-1-carbonyl]cyclohexyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-[(3aS,4R,9bR)-4-(methoxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinoline-1-carbonyl]cyclohexyl]-1H-indole-5-carboxamide
PubChem CID67150414
Molecular FormulaC29H34N4O3
Molecular Weight486.62 g/mol
Exact Mass486.26
IUPAC NameN-[(1R,2S)-2-[(3aS,4R,9bR)-4-(methoxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinoline-1-carbonyl]cyclohexyl]-1H-indole-5-carboxamide
SMILESCOC[C@@H]1Nc2ccccc2[C@H]2[C@H]1CCN2C(=O)[C@H]1CCCC[C@H]1NC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C29H34N4O3/c1-36-17-26-21-13-15-33(27(21)20-6-2-4-8-24(20)31-26)29(35)22-7-3-5-9-25(22)32-28(34)19-10-11-23-18(16-19)12-14-30-23/h2,4,6,8,10-12,14,16,21-22,25-27,30-31H,3,5,7,9,13,15,17H2,1H3,(H,32,34)/t21-,22-,25+,26-,27-/m0/s1
InChIKeyMFMFZTZYOJWCLI-HPORTXTCSA-N
XLogP4.49
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2S)-2-[(3aS,4R,9bR)-4-(methoxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinoline-1-carbonyl]cyclohexyl]-1H-indole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-[(3aS,4R,9bR)-4-(methoxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinoline-1-carbonyl]cyclohexyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[(1R,2S)-2-[(3aS,4R,9bR)-4-(methoxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinoline-1-carbonyl]cyclohexyl]-1H-indole-5-carboxamide (CID 67150414) is N-[(1R,2S)-2-[(3aS,4R,9bR)-4-(methoxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinoline-1-carbonyl]cyclohexyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-[(3aS,4R,9bR)-4-(methoxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinoline-1-carbonyl]cyclohexyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-[(3aS,4R,9bR)-4-(methoxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinoline-1-carbonyl]cyclohexyl]-1H-indole-5-carboxamide is COC[C@@H]1Nc2ccccc2[C@H]2[C@H]1CCN2C(=O)[C@H]1CCCC[C@H]1NC(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-[(1R,2S)-2-[(3aS,4R,9bR)-4-(methoxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinoline-1-carbonyl]cyclohexyl]-1H-indole-5-carboxamide?
The InChIKey is MFMFZTZYOJWCLI-HPORTXTCSA-N. The full InChI is InChI=1S/C29H34N4O3/c1-36-17-26-21-13-15-33(27(21)20-6-2-4-8-24(20)31-26)29(35)22-7-3-5-9-25(22)32-28(34)19-10-11-23-18(16-19)12-14-30-23/h2,4,6,8,10-12,14,16,21-22,25-27,30-31H,3,5,7,9,13,15,17H2,1H3,(H,32,34)/t21-,22-,25+,26-,27-/m0/s1.
What are the key properties of N-[(1R,2S)-2-[(3aS,4R,9bR)-4-(methoxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinoline-1-carbonyl]cyclohexyl]-1H-indole-5-carboxamide?
N-[(1R,2S)-2-[(3aS,4R,9bR)-4-(methoxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinoline-1-carbonyl]cyclohexyl]-1H-indole-5-carboxamide has a molecular weight of 486.62 g/mol, XLogP of 4.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-[(3aS,4R,9bR)-4-(methoxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinoline-1-carbonyl]cyclohexyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 67150414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).