2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone

C23H29N3O2 — CID 37370965

IUPAC2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
SMILESCC(C)c1ccc2c(c1)CCCN2CC(=O)c1c[nH]c(C(=O)N2CCCC2)c1
InChIInChI=1S/C23H29N3O2/c1-16(2)17-7-8-21-18(12-17)6-5-11-26(21)15-22(27)19-13-20(24-14-19)23(28)25-9-3-4-10-25/h7-8,12-14,16,24H,3-6,9-11,15H2,1-2H3
InChIKeyVULHFYQIUYZWJS-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.01
Rot. Bonds5

About 2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone

2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone (PubChem CID 37370965) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
PubChem CID37370965
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
SMILESCC(C)c1ccc2c(c1)CCCN2CC(=O)c1c[nH]c(C(=O)N2CCCC2)c1
InChIInChI=1S/C23H29N3O2/c1-16(2)17-7-8-21-18(12-17)6-5-11-26(21)15-22(27)19-13-20(24-14-19)23(28)25-9-3-4-10-25/h7-8,12-14,16,24H,3-6,9-11,15H2,1-2H3
InChIKeyVULHFYQIUYZWJS-UHFFFAOYSA-N
XLogP4.01
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxamide
CID 78870942
1-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]azocan-2-one
CID 55763771
2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47055295
2-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 27268089
1-[5-(azocane-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 51073647
benzhydryl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]azanium
CID 9445986
2-(4-benzoylpiperidin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 33214961
2-[methyl-[(4-methylphenyl)methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 26303124
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 3-hydroxybenzoate
CID 40755615
(7aR)-2-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 27941969
2-piperidin-1-ium-1-yl-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 9249698
1-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661914

Frequently Asked Questions

What is the IUPAC name of 2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
The IUPAC name of 2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone (CID 37370965) is 2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone.
What is the SMILES notation for 2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
The canonical SMILES for 2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone is CC(C)c1ccc2c(c1)CCCN2CC(=O)c1c[nH]c(C(=O)N2CCCC2)c1.
What is the InChIKey of 2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
The InChIKey is VULHFYQIUYZWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16(2)17-7-8-21-18(12-17)6-5-11-26(21)15-22(27)19-13-20(24-14-19)23(28)25-9-3-4-10-25/h7-8,12-14,16,24H,3-6,9-11,15H2,1-2H3.
What are the key properties of 2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone has a molecular weight of 379.50 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 37370965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).