4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-propan-2-ylbutanamide

C24H24ClN3O — CID 18847197

IUPAC4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C24H24ClN3O/c1-15(2)26-23(29)9-5-7-18-19-14-17(25)11-13-21(19)28-24(18)22-12-10-16-6-3-4-8-20(16)27-22/h3-4,6,8,10-15,28H,5,7,9H2,1-2H3,(H,26,29)
InChIKeyWRRMNTBYSABDMI-UHFFFAOYSA-N
MW405.93 g/mol
LogP5.88
Rot. Bonds6

About 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-propan-2-ylbutanamide

4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-propan-2-ylbutanamide (PubChem CID 18847197) has the molecular formula C24H24ClN3O and a molecular weight of 405.93 g/mol. Its IUPAC name is 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-propan-2-ylbutanamide
PubChem CID18847197
Molecular FormulaC24H24ClN3O
Molecular Weight405.93 g/mol
Exact Mass405.16
IUPAC Name4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C24H24ClN3O/c1-15(2)26-23(29)9-5-7-18-19-14-17(25)11-13-21(19)28-24(18)22-12-10-16-6-3-4-8-20(16)27-22/h3-4,6,8,10-15,28H,5,7,9H2,1-2H3,(H,26,29)
InChIKeyWRRMNTBYSABDMI-UHFFFAOYSA-N
XLogP5.88
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.93
LogP ≤ 55.88
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 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-propan-2-ylbutanamide?
The IUPAC name of 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-propan-2-ylbutanamide (CID 18847197) is 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-propan-2-ylbutanamide?
The canonical SMILES for 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-propan-2-ylbutanamide is CC(C)NC(=O)CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-propan-2-ylbutanamide?
The InChIKey is WRRMNTBYSABDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O/c1-15(2)26-23(29)9-5-7-18-19-14-17(25)11-13-21(19)28-24(18)22-12-10-16-6-3-4-8-20(16)27-22/h3-4,6,8,10-15,28H,5,7,9H2,1-2H3,(H,26,29).
What are the key properties of 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-propan-2-ylbutanamide?
4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-propan-2-ylbutanamide has a molecular weight of 405.93 g/mol, XLogP of 5.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-propan-2-ylbutanamide is sourced from PubChem (CID 18847197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).