N-(3-methoxyphenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide

C28H25N3O2 — CID 18846841

IUPACN-(3-methoxyphenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
SMILESCOc1cccc(NC(=O)CCCc2c(-c3ccc4ccccc4n3)[nH]c3ccccc23)c1
InChIInChI=1S/C28H25N3O2/c1-33-21-10-6-9-20(18-21)29-27(32)15-7-12-23-22-11-3-5-14-25(22)31-28(23)26-17-16-19-8-2-4-13-24(19)30-26/h2-6,8-11,13-14,16-18,31H,7,12,15H2,1H3,(H,29,32)
InChIKeyWTDRGDORJKBAOX-UHFFFAOYSA-N
MW435.53 g/mol
LogP6.35
Rot. Bonds7

About N-(3-methoxyphenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide

N-(3-methoxyphenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide (PubChem CID 18846841) has the molecular formula C28H25N3O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
PubChem CID18846841
Molecular FormulaC28H25N3O2
Molecular Weight435.53 g/mol
Exact Mass435.19
IUPAC NameN-(3-methoxyphenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
SMILESCOc1cccc(NC(=O)CCCc2c(-c3ccc4ccccc4n3)[nH]c3ccccc23)c1
InChIInChI=1S/C28H25N3O2/c1-33-21-10-6-9-20(18-21)29-27(32)15-7-12-23-22-11-3-5-14-25(22)31-28(23)26-17-16-19-8-2-4-13-24(19)30-26/h2-6,8-11,13-14,16-18,31H,7,12,15H2,1H3,(H,29,32)
InChIKeyWTDRGDORJKBAOX-UHFFFAOYSA-N
XLogP6.35
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-methoxyphenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide 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

4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-methoxyphenyl)butanamide
CID 18847417
N-(3-nitrophenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18846904
N-(4-methoxy-2-nitrophenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18846915
N-(3-acetylphenyl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18847024
N-(4-butylphenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18846827
N-(2,6-dichlorophenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18846946
N-propan-2-yl-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18846860
ethyl 4-[4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)butanoylamino]benzoate
CID 18847392
N-(4-ethoxyphenyl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18847080
N-(1,3-benzothiazol-2-yl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18846883
N-(4-methoxy-2-nitrophenyl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18847083
4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(3-methoxyphenyl)butanamide
CID 18832923

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide?
The IUPAC name of N-(3-methoxyphenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide (CID 18846841) is N-(3-methoxyphenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide is COc1cccc(NC(=O)CCCc2c(-c3ccc4ccccc4n3)[nH]c3ccccc23)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide?
The InChIKey is WTDRGDORJKBAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O2/c1-33-21-10-6-9-20(18-21)29-27(32)15-7-12-23-22-11-3-5-14-25(22)31-28(23)26-17-16-19-8-2-4-13-24(19)30-26/h2-6,8-11,13-14,16-18,31H,7,12,15H2,1H3,(H,29,32).
What are the key properties of N-(3-methoxyphenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide?
N-(3-methoxyphenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide has a molecular weight of 435.53 g/mol, XLogP of 6.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide is sourced from PubChem (CID 18846841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).