(6aR,9R)-N-(2-methoxyphenyl)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide

C27H28N4O3 — CID 56670450

IUPAC(6aR,9R)-N-(2-methoxyphenyl)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide
SMILESCOc1ccccc1NC(=O)N1C[C@H](C(=O)N2CCCC2)C=C2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C27H28N4O3/c1-34-24-10-3-2-8-21(24)29-27(33)31-16-18(26(32)30-11-4-5-12-30)13-20-19-7-6-9-22-25(19)17(15-28-22)14-23(20)31/h2-3,6-10,13,15,18,23,28H,4-5,11-12,14,16H2,1H3,(H,29,33)/t18-,23-/m1/s1
InChIKeyDYOYHTDBFOQTSF-WZONZLPQSA-N
MW456.55 g/mol
LogP4.27
Rot. Bonds3

About (6aR,9R)-N-(2-methoxyphenyl)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide

(6aR,9R)-N-(2-methoxyphenyl)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide (PubChem CID 56670450) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is (6aR,9R)-N-(2-methoxyphenyl)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide.

Molecular Properties

Compound Name(6aR,9R)-N-(2-methoxyphenyl)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide
PubChem CID56670450
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC Name(6aR,9R)-N-(2-methoxyphenyl)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide
SMILESCOc1ccccc1NC(=O)N1C[C@H](C(=O)N2CCCC2)C=C2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C27H28N4O3/c1-34-24-10-3-2-8-21(24)29-27(33)31-16-18(26(32)30-11-4-5-12-30)13-20-19-7-6-9-22-25(19)17(15-28-22)14-23(20)31/h2-3,6-10,13,15,18,23,28H,4-5,11-12,14,16H2,1H3,(H,29,33)/t18-,23-/m1/s1
InChIKeyDYOYHTDBFOQTSF-WZONZLPQSA-N
XLogP4.27
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (6aR,9R)-N-(2-methoxyphenyl)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide with MolForge

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Related Compounds

N-[(2R,3S)-1-[5-[(dimethylamino)methyl]-2-ethoxyanilino]-3-(1H-indol-3-yl)-1-oxobutan-2-yl]-4-phenylpiperidine-1-carboxamide
CID 9959983
N-(4-methoxyphenyl)-4-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 44342830
1-[3-(1H-Indol-3-yl)-1-oxopropyl]-4-(2-methoxyphenyl)piperazine
CID 4241337
4-(1H-Indol-3-yl)-piperidine-1-carboxylic acid [4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-amide
CID 9824884
4-(6-Fluoro-1H-indol-3-yl)-piperidine-1-carboxylic acid [4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-amide
CID 10096048
4-(5-fluoro-1H-indol-3-yl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide
CID 10412189
4-(4-Fluoro-1H-indol-3-yl)-piperidine-1-carboxylic acid [4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-amide
CID 10412190
1-[2-(5-Fluoro-1H-indol-3-yl)-ethyl]-3-[4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-urea
CID 10502495
3-(5-fluoro-1H-indol-3-yl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 10647243
1-{2-[4-(6-Fluoro-1H-indol-3-yl)-piperidin-1-yl]-ethyl}-3-[4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-urea
CID 10696986
4-[2-(1H-indol-3-yl)ethyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide
CID 10814424
N-hydroxy-4-[[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]benzamide
CID 71451928

Frequently Asked Questions

What is the IUPAC name of (6aR,9R)-N-(2-methoxyphenyl)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide?
The IUPAC name of (6aR,9R)-N-(2-methoxyphenyl)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide (CID 56670450) is (6aR,9R)-N-(2-methoxyphenyl)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide.
What is the SMILES notation for (6aR,9R)-N-(2-methoxyphenyl)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide?
The canonical SMILES for (6aR,9R)-N-(2-methoxyphenyl)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide is COc1ccccc1NC(=O)N1C[C@H](C(=O)N2CCCC2)C=C2c3cccc4[nH]cc(c34)C[C@H]21.
What is the InChIKey of (6aR,9R)-N-(2-methoxyphenyl)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide?
The InChIKey is DYOYHTDBFOQTSF-WZONZLPQSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-34-24-10-3-2-8-21(24)29-27(33)31-16-18(26(32)30-11-4-5-12-30)13-20-19-7-6-9-22-25(19)17(15-28-22)14-23(20)31/h2-3,6-10,13,15,18,23,28H,4-5,11-12,14,16H2,1H3,(H,29,33)/t18-,23-/m1/s1.
What are the key properties of (6aR,9R)-N-(2-methoxyphenyl)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide?
(6aR,9R)-N-(2-methoxyphenyl)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9R)-N-(2-methoxyphenyl)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide is sourced from PubChem (CID 56670450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).