[6-chloro-4-[(3-ethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone

C23H24ClN3O3 — CID 53333938

IUPAC[6-chloro-4-[(3-ethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
SMILESCCOc1cccc(CNc2c(C(=O)N3CCOCC3)cnc3ccc(Cl)cc23)c1
InChIInChI=1S/C23H24ClN3O3/c1-2-30-18-5-3-4-16(12-18)14-26-22-19-13-17(24)6-7-21(19)25-15-20(22)23(28)27-8-10-29-11-9-27/h3-7,12-13,15H,2,8-11,14H2,1H3,(H,25,26)
InChIKeyZADFKTXXGLEGDJ-UHFFFAOYSA-N
MW425.92 g/mol
LogP4.37
Rot. Bonds6

About [6-chloro-4-[(3-ethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone

[6-chloro-4-[(3-ethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone (PubChem CID 53333938) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is [6-chloro-4-[(3-ethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-chloro-4-[(3-ethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
PubChem CID53333938
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name[6-chloro-4-[(3-ethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
SMILESCCOc1cccc(CNc2c(C(=O)N3CCOCC3)cnc3ccc(Cl)cc23)c1
InChIInChI=1S/C23H24ClN3O3/c1-2-30-18-5-3-4-16(12-18)14-26-22-19-13-17(24)6-7-21(19)25-15-20(22)23(28)27-8-10-29-11-9-27/h3-7,12-13,15H,2,8-11,14H2,1H3,(H,25,26)
InChIKeyZADFKTXXGLEGDJ-UHFFFAOYSA-N
XLogP4.37
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-chloro-4-[(3-ethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53333971
[6-chloro-4-[(3,4-dimethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53333943
[6-chloro-4-[(4-ethylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone
CID 71825088
[4-[(4-chlorophenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53001489
[4-[(3-chloro-4-fluorophenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53333912
6-chloro-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylic acid;hydrochloride
CID 20982491
[4-[(2-ethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53333897
[4-(4-bromophenyl)sulfonyl-6-chloroquinolin-3-yl]-morpholin-4-ylmethanone
CID 71686404
[4-[(3-bromophenyl)methylamino]-6-fluoroquinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 71825043
3-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 4957459
[6-chloro-4-[[(1S)-1-phenylethyl]amino]quinolin-3-yl]-piperidin-1-ylmethanone
CID 95795098
4-[(3-chloro-4-methoxyphenyl)methylamino]-3-(thiomorpholine-4-carbonyl)quinoline-6-carbonitrile
CID 70010538

Frequently Asked Questions

What is the IUPAC name of [6-chloro-4-[(3-ethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-chloro-4-[(3-ethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone (CID 53333938) is [6-chloro-4-[(3-ethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-chloro-4-[(3-ethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-chloro-4-[(3-ethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone is CCOc1cccc(CNc2c(C(=O)N3CCOCC3)cnc3ccc(Cl)cc23)c1.
What is the InChIKey of [6-chloro-4-[(3-ethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is ZADFKTXXGLEGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-2-30-18-5-3-4-16(12-18)14-26-22-19-13-17(24)6-7-21(19)25-15-20(22)23(28)27-8-10-29-11-9-27/h3-7,12-13,15H,2,8-11,14H2,1H3,(H,25,26).
What are the key properties of [6-chloro-4-[(3-ethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone?
[6-chloro-4-[(3-ethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 425.92 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-4-[(3-ethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 53333938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).