2-[4-[(3-bromophenyl)carbamoyl]-2-oxoquinolin-1-yl]acetic acid

C18H13BrN2O4 — CID 112707519

IUPAC2-[4-[(3-bromophenyl)carbamoyl]-2-oxoquinolin-1-yl]acetic acid
SMILESO=C(O)Cn1c(=O)cc(C(=O)Nc2cccc(Br)c2)c2ccccc21
InChIInChI=1S/C18H13BrN2O4/c19-11-4-3-5-12(8-11)20-18(25)14-9-16(22)21(10-17(23)24)15-7-2-1-6-13(14)15/h1-9H,10H2,(H,20,25)(H,23,24)
InChIKeyOUVYWSHGMQORMK-UHFFFAOYSA-N
MW401.22 g/mol
LogP3.10
Rot. Bonds4

About 2-[4-[(3-bromophenyl)carbamoyl]-2-oxoquinolin-1-yl]acetic acid

2-[4-[(3-bromophenyl)carbamoyl]-2-oxoquinolin-1-yl]acetic acid (PubChem CID 112707519) has the molecular formula C18H13BrN2O4 and a molecular weight of 401.22 g/mol. Its IUPAC name is 2-[4-[(3-bromophenyl)carbamoyl]-2-oxoquinolin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-bromophenyl)carbamoyl]-2-oxoquinolin-1-yl]acetic acid
PubChem CID112707519
Molecular FormulaC18H13BrN2O4
Molecular Weight401.22 g/mol
Exact Mass400.01
IUPAC Name2-[4-[(3-bromophenyl)carbamoyl]-2-oxoquinolin-1-yl]acetic acid
SMILESO=C(O)Cn1c(=O)cc(C(=O)Nc2cccc(Br)c2)c2ccccc21
InChIInChI=1S/C18H13BrN2O4/c19-11-4-3-5-12(8-11)20-18(25)14-9-16(22)21(10-17(23)24)15-7-2-1-6-13(14)15/h1-9H,10H2,(H,20,25)(H,23,24)
InChIKeyOUVYWSHGMQORMK-UHFFFAOYSA-N
XLogP3.10
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.22
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[2-(3-bromoanilino)-2-oxoethyl]sulfanyl-[1,2,4]triazino[5,6-b]indol-5-yl]acetic acid
CID 5292656
N-(3-bromophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 54682095
N-(3-bromophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465653
N-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694528
2-(2-oxo-4-phenylquinolin-1-yl)acetic acid
CID 13180338
N,N-diethyl-1-[2-(3-methylanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide
CID 17251057
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-methyl-2-oxoquinoline-4-carboxamide
CID 50814276
1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide
CID 55909182
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
1-benzyl-N-(3-bromophenyl)-2-oxopyridine-3-carboxamide
CID 7422670
N'-(3-bromophenyl)-N-phenylpropanediamide
CID 108952873
N-(3-fluorophenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide
CID 50814310

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-bromophenyl)carbamoyl]-2-oxoquinolin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(3-bromophenyl)carbamoyl]-2-oxoquinolin-1-yl]acetic acid (CID 112707519) is 2-[4-[(3-bromophenyl)carbamoyl]-2-oxoquinolin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(3-bromophenyl)carbamoyl]-2-oxoquinolin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(3-bromophenyl)carbamoyl]-2-oxoquinolin-1-yl]acetic acid is O=C(O)Cn1c(=O)cc(C(=O)Nc2cccc(Br)c2)c2ccccc21.
What is the InChIKey of 2-[4-[(3-bromophenyl)carbamoyl]-2-oxoquinolin-1-yl]acetic acid?
The InChIKey is OUVYWSHGMQORMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN2O4/c19-11-4-3-5-12(8-11)20-18(25)14-9-16(22)21(10-17(23)24)15-7-2-1-6-13(14)15/h1-9H,10H2,(H,20,25)(H,23,24).
What are the key properties of 2-[4-[(3-bromophenyl)carbamoyl]-2-oxoquinolin-1-yl]acetic acid?
2-[4-[(3-bromophenyl)carbamoyl]-2-oxoquinolin-1-yl]acetic acid has a molecular weight of 401.22 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-bromophenyl)carbamoyl]-2-oxoquinolin-1-yl]acetic acid is sourced from PubChem (CID 112707519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).