4-anilino-3-bromo-1-ethyl-7-methoxyquinolin-2-one

C18H17BrN2O2 — CID 2786611

IUPAC4-anilino-3-bromo-1-ethyl-7-methoxyquinolin-2-one
SMILESCCn1c(=O)c(Br)c(Nc2ccccc2)c2ccc(OC)cc21
InChIInChI=1S/C18H17BrN2O2/c1-3-21-15-11-13(23-2)9-10-14(15)17(16(19)18(21)22)20-12-7-5-4-6-8-12/h4-11,20H,3H2,1-2H3
InChIKeyHJUDMICAZOBEGO-UHFFFAOYSA-N
MW373.25 g/mol
LogP4.54
Rot. Bonds4

About 4-anilino-3-bromo-1-ethyl-7-methoxyquinolin-2-one

4-anilino-3-bromo-1-ethyl-7-methoxyquinolin-2-one (PubChem CID 2786611) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 4-anilino-3-bromo-1-ethyl-7-methoxyquinolin-2-one.

Molecular Properties

Compound Name4-anilino-3-bromo-1-ethyl-7-methoxyquinolin-2-one
PubChem CID2786611
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name4-anilino-3-bromo-1-ethyl-7-methoxyquinolin-2-one
SMILESCCn1c(=O)c(Br)c(Nc2ccccc2)c2ccc(OC)cc21
InChIInChI=1S/C18H17BrN2O2/c1-3-21-15-11-13(23-2)9-10-14(15)17(16(19)18(21)22)20-12-7-5-4-6-8-12/h4-11,20H,3H2,1-2H3
InChIKeyHJUDMICAZOBEGO-UHFFFAOYSA-N
XLogP4.54
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

10-benzyl-3-methoxyacridin-9-one
CID 12751573
phenyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 89024512
1-ethyl-4-hydroxy-N-(3-methoxyphenyl)-2-oxoquinoline-3-carboxamide
CID 54679068
propyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 70844655
4-(4-methoxyanilino)-3-nitro-1-phenylquinolin-2-one
CID 23473427
phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694220
2-(1-ethyl-4-methyl-2-oxoquinolin-7-yl)oxy-N-phenylacetamide
CID 42690240
1,4-diethyl-N-(3-methoxyphenyl)-2,3-dioxoquinoxaline-6-sulfonamide
CID 3245256
9,18,27-triethyl-15,24-dimethoxy-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene-6-carbaldehyde
CID 170534126
N-[3-[2-(3-amino-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide
CID 89024375
1-ethyl-6-methoxy-2-[2-(2-methylphenyl)ethynyl]indole-3-carbonitrile
CID 58694494
3,4-bis(3-methoxyanilino)cyclobut-3-ene-1,2-dione
CID 2824412

Frequently Asked Questions

What is the IUPAC name of 4-anilino-3-bromo-1-ethyl-7-methoxyquinolin-2-one?
The IUPAC name of 4-anilino-3-bromo-1-ethyl-7-methoxyquinolin-2-one (CID 2786611) is 4-anilino-3-bromo-1-ethyl-7-methoxyquinolin-2-one.
What is the SMILES notation for 4-anilino-3-bromo-1-ethyl-7-methoxyquinolin-2-one?
The canonical SMILES for 4-anilino-3-bromo-1-ethyl-7-methoxyquinolin-2-one is CCn1c(=O)c(Br)c(Nc2ccccc2)c2ccc(OC)cc21.
What is the InChIKey of 4-anilino-3-bromo-1-ethyl-7-methoxyquinolin-2-one?
The InChIKey is HJUDMICAZOBEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-3-21-15-11-13(23-2)9-10-14(15)17(16(19)18(21)22)20-12-7-5-4-6-8-12/h4-11,20H,3H2,1-2H3.
What are the key properties of 4-anilino-3-bromo-1-ethyl-7-methoxyquinolin-2-one?
4-anilino-3-bromo-1-ethyl-7-methoxyquinolin-2-one has a molecular weight of 373.25 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-3-bromo-1-ethyl-7-methoxyquinolin-2-one is sourced from PubChem (CID 2786611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).