quinolin-8-yl 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoate

C27H23N3O2 — CID 18832842

IUPACquinolin-8-yl 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoate
SMILESCc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)Oc3cccc4cccnc34)c2c1
InChIInChI=1S/C27H23N3O2/c1-18-13-14-22-21(17-18)20(27(30-22)23-10-2-3-15-28-23)9-5-12-25(31)32-24-11-4-7-19-8-6-16-29-26(19)24/h2-4,6-8,10-11,13-17,30H,5,9,12H2,1H3
InChIKeySUSWESMWQPHVEX-UHFFFAOYSA-N
MW421.50 g/mol
LogP6.01
Rot. Bonds6

About quinolin-8-yl 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoate

quinolin-8-yl 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoate (PubChem CID 18832842) has the molecular formula C27H23N3O2 and a molecular weight of 421.50 g/mol. Its IUPAC name is quinolin-8-yl 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoate.

Molecular Properties

Compound Namequinolin-8-yl 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoate
PubChem CID18832842
Molecular FormulaC27H23N3O2
Molecular Weight421.50 g/mol
Exact Mass421.18
IUPAC Namequinolin-8-yl 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoate
SMILESCc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)Oc3cccc4cccnc34)c2c1
InChIInChI=1S/C27H23N3O2/c1-18-13-14-22-21(17-18)20(27(30-22)23-10-2-3-15-28-23)9-5-12-25(31)32-24-11-4-7-19-8-6-16-29-26(19)24/h2-4,6-8,10-11,13-17,30H,5,9,12H2,1H3
InChIKeySUSWESMWQPHVEX-UHFFFAOYSA-N
XLogP6.01
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze quinolin-8-yl 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

naphthalen-1-yl 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoate
CID 18832833
naphthalen-1-yl 4-(2-pyridin-2-yl-1H-indol-3-yl)butanoate
CID 18827560
(5-methyl-2-propan-2-ylphenyl) 4-(2-pyridin-2-yl-1H-indol-3-yl)butanoate
CID 18827583
(2,4-dichlorophenyl) 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoate
CID 18833255
N,N-bis(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832841
N-benzyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832746
N-(3-methyl-2-pyridinyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832689
N-(3-acetylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832735
N-(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832681
4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-prop-2-enylbutanamide
CID 18832745
4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-pyridin-4-ylbutanamide
CID 18832718
N-benzyl-N-methyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832831

Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoate?
The IUPAC name of quinolin-8-yl 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoate (CID 18832842) is quinolin-8-yl 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoate.
What is the SMILES notation for quinolin-8-yl 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoate?
The canonical SMILES for quinolin-8-yl 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoate is Cc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)Oc3cccc4cccnc34)c2c1.
What is the InChIKey of quinolin-8-yl 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoate?
The InChIKey is SUSWESMWQPHVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O2/c1-18-13-14-22-21(17-18)20(27(30-22)23-10-2-3-15-28-23)9-5-12-25(31)32-24-11-4-7-19-8-6-16-29-26(19)24/h2-4,6-8,10-11,13-17,30H,5,9,12H2,1H3.
What are the key properties of quinolin-8-yl 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoate?
quinolin-8-yl 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoate has a molecular weight of 421.50 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoate is sourced from PubChem (CID 18832842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).