[4-(2-chloro-4-methylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone

C21H19ClFN3O2 — CID 53001687

IUPAC[4-(2-chloro-4-methylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(Nc2c(C(=O)N3CCOCC3)cnc3ccc(F)cc23)c(Cl)c1
InChIInChI=1S/C21H19ClFN3O2/c1-13-2-4-19(17(22)10-13)25-20-15-11-14(23)3-5-18(15)24-12-16(20)21(27)26-6-8-28-9-7-26/h2-5,10-12H,6-9H2,1H3,(H,24,25)
InChIKeyQZPKCQQOOLCRKO-UHFFFAOYSA-N
MW399.85 g/mol
LogP4.55
Rot. Bonds3

About [4-(2-chloro-4-methylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone

[4-(2-chloro-4-methylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone (PubChem CID 53001687) has the molecular formula C21H19ClFN3O2 and a molecular weight of 399.85 g/mol. Its IUPAC name is [4-(2-chloro-4-methylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2-chloro-4-methylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
PubChem CID53001687
Molecular FormulaC21H19ClFN3O2
Molecular Weight399.85 g/mol
Exact Mass399.11
IUPAC Name[4-(2-chloro-4-methylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(Nc2c(C(=O)N3CCOCC3)cnc3ccc(F)cc23)c(Cl)c1
InChIInChI=1S/C21H19ClFN3O2/c1-13-2-4-19(17(22)10-13)25-20-15-11-14(23)3-5-18(15)24-12-16(20)21(27)26-6-8-28-9-7-26/h2-5,10-12H,6-9H2,1H3,(H,24,25)
InChIKeyQZPKCQQOOLCRKO-UHFFFAOYSA-N
XLogP4.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.85
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(2-chloro-4-methylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[4-(2-chloro-4-methylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
CID 27371221
[4-(2,4-dichloroanilino)-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53032705
[4-(2-ethylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
CID 53001536
(4-chloro-6-fluoroquinolin-3-yl)-morpholin-4-ylmethanone
CID 83290736
[6-fluoro-4-[(4-methylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone
CID 53333974
[4-[2-chloro-5-(trifluoromethyl)anilino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53052655
[4-[(3-chloro-4-fluorophenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53333912
[6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53333971
[6-fluoro-4-(3-fluoroanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 53001564
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
CID 142581622
[6-fluoro-4-(3-methoxyanilino)quinolin-3-yl]-piperidin-1-ylmethanone
CID 53001502
[4-(2,6-dimethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
CID 53001478

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloro-4-methylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(2-chloro-4-methylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone (CID 53001687) is [4-(2-chloro-4-methylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(2-chloro-4-methylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(2-chloro-4-methylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone is Cc1ccc(Nc2c(C(=O)N3CCOCC3)cnc3ccc(F)cc23)c(Cl)c1.
What is the InChIKey of [4-(2-chloro-4-methylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is QZPKCQQOOLCRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O2/c1-13-2-4-19(17(22)10-13)25-20-15-11-14(23)3-5-18(15)24-12-16(20)21(27)26-6-8-28-9-7-26/h2-5,10-12H,6-9H2,1H3,(H,24,25).
What are the key properties of [4-(2-chloro-4-methylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone?
[4-(2-chloro-4-methylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 399.85 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloro-4-methylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 53001687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).