N-[2-(4-bromophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide

C26H23BrN2O3 — CID 142731963

IUPACN-[2-(4-bromophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide
SMILESCOc1ccc(Cn2c(=O)c(C(=O)NCCc3ccc(Br)cc3)cc3ccccc32)cc1
InChIInChI=1S/C26H23BrN2O3/c1-32-22-12-8-19(9-13-22)17-29-24-5-3-2-4-20(24)16-23(26(29)31)25(30)28-15-14-18-6-10-21(27)11-7-18/h2-13,16H,14-15,17H2,1H3,(H,28,30)
InChIKeyGTHGZLWDLVJEQV-UHFFFAOYSA-N
MW491.39 g/mol
LogP4.79
Rot. Bonds7

About N-[2-(4-bromophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide

N-[2-(4-bromophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide (PubChem CID 142731963) has the molecular formula C26H23BrN2O3 and a molecular weight of 491.39 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide
PubChem CID142731963
Molecular FormulaC26H23BrN2O3
Molecular Weight491.39 g/mol
Exact Mass490.09
IUPAC NameN-[2-(4-bromophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide
SMILESCOc1ccc(Cn2c(=O)c(C(=O)NCCc3ccc(Br)cc3)cc3ccccc32)cc1
InChIInChI=1S/C26H23BrN2O3/c1-32-22-12-8-19(9-13-22)17-29-24-5-3-2-4-20(24)16-23(26(29)31)25(30)28-15-14-18-6-10-21(27)11-7-18/h2-13,16H,14-15,17H2,1H3,(H,28,30)
InChIKeyGTHGZLWDLVJEQV-UHFFFAOYSA-N
XLogP4.79
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.39
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide
CID 123844752
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 16976701
1-[(4-formylphenyl)methyl]-N-[2-(4-nitrophenyl)ethyl]-2-oxoquinoline-3-carboxamide
CID 118001816
2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 699177
3-[(2-chlorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121027104
methyl 2-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]quinoline-3-carboxylate
CID 142731706
5-[[2-(4-chlorophenoxy)acetyl]amino]-1-[(4-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-2-oxoquinoline-3-carboxamide
CID 122224566
N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylindol-1-yl)acetamide
CID 26586028
1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbaldehyde
CID 4914630
2-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]indole
CID 22387400
N-[2-(4-methoxyphenyl)ethyl]naphthalene-1-carboxamide
CID 2231008
N-[2-(3-methoxyphenyl)ethyl]-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996030

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-[2-(4-bromophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide (CID 142731963) is N-[2-(4-bromophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-[2-(4-bromophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-[2-(4-bromophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide is COc1ccc(Cn2c(=O)c(C(=O)NCCc3ccc(Br)cc3)cc3ccccc32)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide?
The InChIKey is GTHGZLWDLVJEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23BrN2O3/c1-32-22-12-8-19(9-13-22)17-29-24-5-3-2-4-20(24)16-23(26(29)31)25(30)28-15-14-18-6-10-21(27)11-7-18/h2-13,16H,14-15,17H2,1H3,(H,28,30).
What are the key properties of N-[2-(4-bromophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide?
N-[2-(4-bromophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide has a molecular weight of 491.39 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 142731963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).