3-bromo-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide

C19H17BrN2O3 — CID 5005487

IUPAC3-bromo-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
SMILESCOc1ccc2cc(CCNC(=O)c3cccc(Br)c3)c(=O)[nH]c2c1
InChIInChI=1S/C19H17BrN2O3/c1-25-16-6-5-12-9-14(19(24)22-17(12)11-16)7-8-21-18(23)13-3-2-4-15(20)10-13/h2-6,9-11H,7-8H2,1H3,(H,21,23)(H,22,24)
InChIKeyHGLXWKZUKFJYTE-UHFFFAOYSA-N
MW401.26 g/mol
LogP3.27
Rot. Bonds5

About 3-bromo-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide

3-bromo-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide (PubChem CID 5005487) has the molecular formula C19H17BrN2O3 and a molecular weight of 401.26 g/mol. Its IUPAC name is 3-bromo-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
PubChem CID5005487
Molecular FormulaC19H17BrN2O3
Molecular Weight401.26 g/mol
Exact Mass400.04
IUPAC Name3-bromo-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
SMILESCOc1ccc2cc(CCNC(=O)c3cccc(Br)c3)c(=O)[nH]c2c1
InChIInChI=1S/C19H17BrN2O3/c1-25-16-6-5-12-9-14(19(24)22-17(12)11-16)7-8-21-18(23)13-3-2-4-15(20)10-13/h2-6,9-11H,7-8H2,1H3,(H,21,23)(H,22,24)
InChIKeyHGLXWKZUKFJYTE-UHFFFAOYSA-N
XLogP3.27
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide (CID 5005487) is 3-bromo-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide is COc1ccc2cc(CCNC(=O)c3cccc(Br)c3)c(=O)[nH]c2c1.
What is the InChIKey of 3-bromo-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide?
The InChIKey is HGLXWKZUKFJYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O3/c1-25-16-6-5-12-9-14(19(24)22-17(12)11-16)7-8-21-18(23)13-3-2-4-15(20)10-13/h2-6,9-11H,7-8H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 3-bromo-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide?
3-bromo-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide has a molecular weight of 401.26 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide is sourced from PubChem (CID 5005487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).