N-(4-bromophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide

C19H17BrN2O2 — CID 39849595

IUPACN-(4-bromophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
SMILESCCn1c(C)cc(=O)c2cc(C(=O)Nc3ccc(Br)cc3)ccc21
InChIInChI=1S/C19H17BrN2O2/c1-3-22-12(2)10-18(23)16-11-13(4-9-17(16)22)19(24)21-15-7-5-14(20)6-8-15/h4-11H,3H2,1-2H3,(H,21,24)
InChIKeyOWFKGNMFYLMLCS-UHFFFAOYSA-N
MW385.26 g/mol
LogP4.34
Rot. Bonds3

About N-(4-bromophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide

N-(4-bromophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide (PubChem CID 39849595) has the molecular formula C19H17BrN2O2 and a molecular weight of 385.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
PubChem CID39849595
Molecular FormulaC19H17BrN2O2
Molecular Weight385.26 g/mol
Exact Mass384.05
IUPAC NameN-(4-bromophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
SMILESCCn1c(C)cc(=O)c2cc(C(=O)Nc3ccc(Br)cc3)ccc21
InChIInChI=1S/C19H17BrN2O2/c1-3-22-12(2)10-18(23)16-11-13(4-9-17(16)22)19(24)21-15-7-5-14(20)6-8-15/h4-11H,3H2,1-2H3,(H,21,24)
InChIKeyOWFKGNMFYLMLCS-UHFFFAOYSA-N
XLogP4.34
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.26
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
CID 42537474
N-(4-ethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
CID 39849579
1-ethyl-2-methyl-N-(4-methyl-2-pyridinyl)-4-oxoquinoline-6-carboxamide
CID 27260849
1-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-6-carboxamide
CID 42534269
N-(2-cyanophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
CID 39849384
N-(2,5-dimethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
CID 42534786
2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)-N-phenylacetamide
CID 1310883
4-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 50796749
N-(4-bromophenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501716
methyl 2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)acetate
CID 46397809
N-[3-(4-bromoanilino)-3-oxopropyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 60552253
N-(9-ethylcarbazol-3-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 35740949

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide (CID 39849595) is N-(4-bromophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide is CCn1c(C)cc(=O)c2cc(C(=O)Nc3ccc(Br)cc3)ccc21.
What is the InChIKey of N-(4-bromophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide?
The InChIKey is OWFKGNMFYLMLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O2/c1-3-22-12(2)10-18(23)16-11-13(4-9-17(16)22)19(24)21-15-7-5-14(20)6-8-15/h4-11H,3H2,1-2H3,(H,21,24).
What are the key properties of N-(4-bromophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide?
N-(4-bromophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide has a molecular weight of 385.26 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide is sourced from PubChem (CID 39849595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).