2-[(3aR,4S,6R,6aS)-2-ethyl-4,6-dipyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-quinolin-8-ylacetamide

C29H30N6O — CID 177479784

IUPAC2-[(3aR,4S,6R,6aS)-2-ethyl-4,6-dipyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-quinolin-8-ylacetamide
SMILESCCN1C[C@@H]2[C@H](C1)[C@@H](c1ccccn1)N(CC(=O)Nc1cccc3cccnc13)[C@H]2c1ccccn1
InChIInChI=1S/C29H30N6O/c1-2-34-17-21-22(18-34)29(25-12-4-6-15-31-25)35(28(21)24-11-3-5-14-30-24)19-26(36)33-23-13-7-9-20-10-8-16-32-27(20)23/h3-16,21-22,28-29H,2,17-19H2,1H3,(H,33,36)/t21-,22+,28-,29+
InChIKeyPZYHDUAMXFHBIP-ZNZFJZNRSA-N
MW478.60 g/mol
LogP4.33
Rot. Bonds6

About 2-[(3aR,4S,6R,6aS)-2-ethyl-4,6-dipyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-quinolin-8-ylacetamide

2-[(3aR,4S,6R,6aS)-2-ethyl-4,6-dipyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-quinolin-8-ylacetamide (PubChem CID 177479784) has the molecular formula C29H30N6O and a molecular weight of 478.60 g/mol. Its IUPAC name is 2-[(3aR,4S,6R,6aS)-2-ethyl-4,6-dipyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-[(3aR,4S,6R,6aS)-2-ethyl-4,6-dipyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-quinolin-8-ylacetamide
PubChem CID177479784
Molecular FormulaC29H30N6O
Molecular Weight478.60 g/mol
Exact Mass478.25
IUPAC Name2-[(3aR,4S,6R,6aS)-2-ethyl-4,6-dipyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-quinolin-8-ylacetamide
SMILESCCN1C[C@@H]2[C@H](C1)[C@@H](c1ccccn1)N(CC(=O)Nc1cccc3cccnc13)[C@H]2c1ccccn1
InChIInChI=1S/C29H30N6O/c1-2-34-17-21-22(18-34)29(25-12-4-6-15-31-25)35(28(21)24-11-3-5-14-30-24)19-26(36)33-23-13-7-9-20-10-8-16-32-27(20)23/h3-16,21-22,28-29H,2,17-19H2,1H3,(H,33,36)/t21-,22+,28-,29+
InChIKeyPZYHDUAMXFHBIP-ZNZFJZNRSA-N
XLogP4.33
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3aR,4S,6R,6aS)-2-ethyl-4,6-dipyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-quinolin-8-ylacetamide with MolForge

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Related Compounds

2-(4-methylsulfonylpiperazin-1-yl)-N-quinolin-8-ylacetamide
CID 110684450
N-cyclopentyl-N'-quinolin-8-ylpropanediamide
CID 108942283
3-(2-ethylanilino)-N-quinolin-8-ylpropanamide
CID 109036237
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
N-quinolin-8-ylhex-3-enamide
CID 151663814
2-(3-methyl-2-oxoquinolin-1-yl)-N-quinolin-8-ylacetamide
CID 110680398
(3S)-1-ethyl-5-oxo-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 125145796
N-quinolin-8-ylundecanamide
CID 3567928
2-(3-methylazetidin-3-yl)oxy-N-quinolin-8-ylacetamide
CID 102611786
2-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfanylacetic acid
CID 104569029
(2R)-2-amino-N-quinolin-8-ylpentanamide
CID 103813268
1-pyridin-2-yl-3-quinolin-8-ylurea
CID 110491789

Frequently Asked Questions

What is the IUPAC name of 2-[(3aR,4S,6R,6aS)-2-ethyl-4,6-dipyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-quinolin-8-ylacetamide?
The IUPAC name of 2-[(3aR,4S,6R,6aS)-2-ethyl-4,6-dipyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-quinolin-8-ylacetamide (CID 177479784) is 2-[(3aR,4S,6R,6aS)-2-ethyl-4,6-dipyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-[(3aR,4S,6R,6aS)-2-ethyl-4,6-dipyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-[(3aR,4S,6R,6aS)-2-ethyl-4,6-dipyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-quinolin-8-ylacetamide is CCN1C[C@@H]2[C@H](C1)[C@@H](c1ccccn1)N(CC(=O)Nc1cccc3cccnc13)[C@H]2c1ccccn1.
What is the InChIKey of 2-[(3aR,4S,6R,6aS)-2-ethyl-4,6-dipyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-quinolin-8-ylacetamide?
The InChIKey is PZYHDUAMXFHBIP-ZNZFJZNRSA-N. The full InChI is InChI=1S/C29H30N6O/c1-2-34-17-21-22(18-34)29(25-12-4-6-15-31-25)35(28(21)24-11-3-5-14-30-24)19-26(36)33-23-13-7-9-20-10-8-16-32-27(20)23/h3-16,21-22,28-29H,2,17-19H2,1H3,(H,33,36)/t21-,22+,28-,29+.
What are the key properties of 2-[(3aR,4S,6R,6aS)-2-ethyl-4,6-dipyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-quinolin-8-ylacetamide?
2-[(3aR,4S,6R,6aS)-2-ethyl-4,6-dipyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-quinolin-8-ylacetamide has a molecular weight of 478.60 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,4S,6R,6aS)-2-ethyl-4,6-dipyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-quinolin-8-ylacetamide is sourced from PubChem (CID 177479784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).