8-fluoro-N-(8-methoxy-2-methylquinolin-4-yl)-1-methyl-4-oxoquinoline-3-carboxamide

C22H18FN3O3 — CID 43831714

IUPAC8-fluoro-N-(8-methoxy-2-methylquinolin-4-yl)-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCOc1cccc2c(NC(=O)c3cn(C)c4c(F)cccc4c3=O)cc(C)nc12
InChIInChI=1S/C22H18FN3O3/c1-12-10-17(13-6-5-9-18(29-3)19(13)24-12)25-22(28)15-11-26(2)20-14(21(15)27)7-4-8-16(20)23/h4-11H,1-3H3,(H,24,25,28)
InChIKeyRMUMJWIZNIRORY-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.80
Rot. Bonds3

About 8-fluoro-N-(8-methoxy-2-methylquinolin-4-yl)-1-methyl-4-oxoquinoline-3-carboxamide

8-fluoro-N-(8-methoxy-2-methylquinolin-4-yl)-1-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 43831714) has the molecular formula C22H18FN3O3 and a molecular weight of 391.40 g/mol. Its IUPAC name is 8-fluoro-N-(8-methoxy-2-methylquinolin-4-yl)-1-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name8-fluoro-N-(8-methoxy-2-methylquinolin-4-yl)-1-methyl-4-oxoquinoline-3-carboxamide
PubChem CID43831714
Molecular FormulaC22H18FN3O3
Molecular Weight391.40 g/mol
Exact Mass391.13
IUPAC Name8-fluoro-N-(8-methoxy-2-methylquinolin-4-yl)-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCOc1cccc2c(NC(=O)c3cn(C)c4c(F)cccc4c3=O)cc(C)nc12
InChIInChI=1S/C22H18FN3O3/c1-12-10-17(13-6-5-9-18(29-3)19(13)24-12)25-22(28)15-11-26(2)20-14(21(15)27)7-4-8-16(20)23/h4-11H,1-3H3,(H,24,25,28)
InChIKeyRMUMJWIZNIRORY-UHFFFAOYSA-N
XLogP3.80
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-fluoro-N-(8-methoxy-2-methylquinolin-4-yl)-1-methyl-4-oxoquinoline-3-carboxamide with MolForge

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Related Compounds

N-(3-chloro-2-methylphenyl)-8-fluoro-1-methyl-4-oxoquinoline-3-carboxamide
CID 43832131
3-(1,3-dioxoisoindol-2-yl)-N-(8-methoxy-2-methylquinolin-4-yl)propanamide
CID 39849507
N-(7-chloro-2,8-dimethylquinolin-4-yl)-2-methoxybenzamide
CID 43860367
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-8-fluoro-1-methyl-4-oxoquinoline-3-carboxamide
CID 43832096
8-fluoro-1-methyl-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide
CID 43832085
8-chloro-N-(3-methoxyphenyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 43831924
2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol
CID 939061
ethyl 2-[(8-methoxy-2-methylquinolin-4-yl)amino]benzoate
CID 35208600
8-fluoro-1-methyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide
CID 43831713
8-chloro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 43831923
N-(3,5-dimethoxyphenyl)-N'-(8-methoxy-2-methylquinolin-4-yl)ethane-1,2-diamine
CID 167828097
2-(3-chloro-4-fluorophenyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol
CID 166383018

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-(8-methoxy-2-methylquinolin-4-yl)-1-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of 8-fluoro-N-(8-methoxy-2-methylquinolin-4-yl)-1-methyl-4-oxoquinoline-3-carboxamide (CID 43831714) is 8-fluoro-N-(8-methoxy-2-methylquinolin-4-yl)-1-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 8-fluoro-N-(8-methoxy-2-methylquinolin-4-yl)-1-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 8-fluoro-N-(8-methoxy-2-methylquinolin-4-yl)-1-methyl-4-oxoquinoline-3-carboxamide is COc1cccc2c(NC(=O)c3cn(C)c4c(F)cccc4c3=O)cc(C)nc12.
What is the InChIKey of 8-fluoro-N-(8-methoxy-2-methylquinolin-4-yl)-1-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is RMUMJWIZNIRORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3/c1-12-10-17(13-6-5-9-18(29-3)19(13)24-12)25-22(28)15-11-26(2)20-14(21(15)27)7-4-8-16(20)23/h4-11H,1-3H3,(H,24,25,28).
What are the key properties of 8-fluoro-N-(8-methoxy-2-methylquinolin-4-yl)-1-methyl-4-oxoquinoline-3-carboxamide?
8-fluoro-N-(8-methoxy-2-methylquinolin-4-yl)-1-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 391.40 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-(8-methoxy-2-methylquinolin-4-yl)-1-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 43831714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).