N-[4-(3-bromoanilino)quinolin-6-yl]propanamide

C18H16BrN3O — CID 46197127

IUPACN-[4-(3-bromoanilino)quinolin-6-yl]propanamide
SMILESCCC(=O)Nc1ccc2nccc(Nc3cccc(Br)c3)c2c1
InChIInChI=1S/C18H16BrN3O/c1-2-18(23)22-14-6-7-16-15(11-14)17(8-9-20-16)21-13-5-3-4-12(19)10-13/h3-11H,2H2,1H3,(H,20,21)(H,22,23)
InChIKeyUATWOAYHIISFBR-UHFFFAOYSA-N
MW370.25 g/mol
LogP5.09
Rot. Bonds4

About N-[4-(3-bromoanilino)quinolin-6-yl]propanamide

N-[4-(3-bromoanilino)quinolin-6-yl]propanamide (PubChem CID 46197127) has the molecular formula C18H16BrN3O and a molecular weight of 370.25 g/mol. Its IUPAC name is N-[4-(3-bromoanilino)quinolin-6-yl]propanamide.

Molecular Properties

Compound NameN-[4-(3-bromoanilino)quinolin-6-yl]propanamide
PubChem CID46197127
Molecular FormulaC18H16BrN3O
Molecular Weight370.25 g/mol
Exact Mass369.05
IUPAC NameN-[4-(3-bromoanilino)quinolin-6-yl]propanamide
SMILESCCC(=O)Nc1ccc2nccc(Nc3cccc(Br)c3)c2c1
InChIInChI=1S/C18H16BrN3O/c1-2-18(23)22-14-6-7-16-15(11-14)17(8-9-20-16)21-13-5-3-4-12(19)10-13/h3-11H,2H2,1H3,(H,20,21)(H,22,23)
InChIKeyUATWOAYHIISFBR-UHFFFAOYSA-N
XLogP5.09
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.25
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromoanilino)quinolin-6-yl]propanamide?
The IUPAC name of N-[4-(3-bromoanilino)quinolin-6-yl]propanamide (CID 46197127) is N-[4-(3-bromoanilino)quinolin-6-yl]propanamide.
What is the SMILES notation for N-[4-(3-bromoanilino)quinolin-6-yl]propanamide?
The canonical SMILES for N-[4-(3-bromoanilino)quinolin-6-yl]propanamide is CCC(=O)Nc1ccc2nccc(Nc3cccc(Br)c3)c2c1.
What is the InChIKey of N-[4-(3-bromoanilino)quinolin-6-yl]propanamide?
The InChIKey is UATWOAYHIISFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O/c1-2-18(23)22-14-6-7-16-15(11-14)17(8-9-20-16)21-13-5-3-4-12(19)10-13/h3-11H,2H2,1H3,(H,20,21)(H,22,23).
What are the key properties of N-[4-(3-bromoanilino)quinolin-6-yl]propanamide?
N-[4-(3-bromoanilino)quinolin-6-yl]propanamide has a molecular weight of 370.25 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromoanilino)quinolin-6-yl]propanamide is sourced from PubChem (CID 46197127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).