N-ethyl-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-naphthalen-1-ylbutanamide

C33H28FN3O — CID 18847450

IUPACN-ethyl-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
SMILESCCN(C(=O)CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(F)cc12)c1cccc2ccccc12
InChIInChI=1S/C33H28FN3O/c1-2-37(31-15-7-11-22-9-3-5-12-25(22)31)32(38)16-8-13-26-27-21-24(34)18-20-29(27)36-33(26)30-19-17-23-10-4-6-14-28(23)35-30/h3-7,9-12,14-15,17-21,36H,2,8,13,16H2,1H3
InChIKeyQONQNOJSDLEVHS-UHFFFAOYSA-N
MW501.61 g/mol
LogP8.05
Rot. Bonds7

About N-ethyl-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-naphthalen-1-ylbutanamide

N-ethyl-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-naphthalen-1-ylbutanamide (PubChem CID 18847450) has the molecular formula C33H28FN3O and a molecular weight of 501.61 g/mol. Its IUPAC name is N-ethyl-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-naphthalen-1-ylbutanamide.

Molecular Properties

Compound NameN-ethyl-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
PubChem CID18847450
Molecular FormulaC33H28FN3O
Molecular Weight501.61 g/mol
Exact Mass501.22
IUPAC NameN-ethyl-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
SMILESCCN(C(=O)CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(F)cc12)c1cccc2ccccc12
InChIInChI=1S/C33H28FN3O/c1-2-37(31-15-7-11-22-9-3-5-12-25(22)31)32(38)16-8-13-26-27-21-24(34)18-20-29(27)36-33(26)30-19-17-23-10-4-6-14-28(23)35-30/h3-7,9-12,14-15,17-21,36H,2,8,13,16H2,1H3
InChIKeyQONQNOJSDLEVHS-UHFFFAOYSA-N
XLogP8.05
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.61
LogP ≤ 58.05
H-Bond Donors ≤ 51
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-ethyl-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-naphthalen-1-ylbutanamide?
The IUPAC name of N-ethyl-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-naphthalen-1-ylbutanamide (CID 18847450) is N-ethyl-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-naphthalen-1-ylbutanamide.
What is the SMILES notation for N-ethyl-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-naphthalen-1-ylbutanamide?
The canonical SMILES for N-ethyl-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-naphthalen-1-ylbutanamide is CCN(C(=O)CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(F)cc12)c1cccc2ccccc12.
What is the InChIKey of N-ethyl-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-naphthalen-1-ylbutanamide?
The InChIKey is QONQNOJSDLEVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28FN3O/c1-2-37(31-15-7-11-22-9-3-5-12-25(22)31)32(38)16-8-13-26-27-21-24(34)18-20-29(27)36-33(26)30-19-17-23-10-4-6-14-28(23)35-30/h3-7,9-12,14-15,17-21,36H,2,8,13,16H2,1H3.
What are the key properties of N-ethyl-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-naphthalen-1-ylbutanamide?
N-ethyl-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-naphthalen-1-ylbutanamide has a molecular weight of 501.61 g/mol, XLogP of 8.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-naphthalen-1-ylbutanamide is sourced from PubChem (CID 18847450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).