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

C24H25N3O — CID 18846860

IUPACN-propan-2-yl-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
SMILESCC(C)NC(=O)CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccccc12
InChIInChI=1S/C24H25N3O/c1-16(2)25-23(28)13-7-10-19-18-9-4-6-12-21(18)27-24(19)22-15-14-17-8-3-5-11-20(17)26-22/h3-6,8-9,11-12,14-16,27H,7,10,13H2,1-2H3,(H,25,28)
InChIKeyPVMDBOJUGNNFHJ-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.23
Rot. Bonds6

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

N-propan-2-yl-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide (PubChem CID 18846860) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is N-propan-2-yl-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-propan-2-yl-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
PubChem CID18846860
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC NameN-propan-2-yl-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
SMILESCC(C)NC(=O)CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccccc12
InChIInChI=1S/C24H25N3O/c1-16(2)25-23(28)13-7-10-19-18-9-4-6-12-21(18)27-24(19)22-15-14-17-8-3-5-11-20(17)26-22/h3-6,8-9,11-12,14-16,27H,7,10,13H2,1-2H3,(H,25,28)
InChIKeyPVMDBOJUGNNFHJ-UHFFFAOYSA-N
XLogP5.23
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide?
The IUPAC name of N-propan-2-yl-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide (CID 18846860) is N-propan-2-yl-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide.
What is the SMILES notation for N-propan-2-yl-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide?
The canonical SMILES for N-propan-2-yl-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide is CC(C)NC(=O)CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccccc12.
What is the InChIKey of N-propan-2-yl-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide?
The InChIKey is PVMDBOJUGNNFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-16(2)25-23(28)13-7-10-19-18-9-4-6-12-21(18)27-24(19)22-15-14-17-8-3-5-11-20(17)26-22/h3-6,8-9,11-12,14-16,27H,7,10,13H2,1-2H3,(H,25,28).
What are the key properties of N-propan-2-yl-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide?
N-propan-2-yl-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide has a molecular weight of 371.48 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide is sourced from PubChem (CID 18846860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).