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

C23H24ClN3O4 — CID 53333943

IUPAC[6-chloro-4-[(3,4-dimethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(CNc2c(C(=O)N3CCOCC3)cnc3ccc(Cl)cc23)cc1OC
InChIInChI=1S/C23H24ClN3O4/c1-29-20-6-3-15(11-21(20)30-2)13-26-22-17-12-16(24)4-5-19(17)25-14-18(22)23(28)27-7-9-31-10-8-27/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,25,26)
InChIKeyVOMQZNLSLCENDA-UHFFFAOYSA-N
MW441.92 g/mol
LogP3.99
Rot. Bonds6

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

[6-chloro-4-[(3,4-dimethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone (PubChem CID 53333943) has the molecular formula C23H24ClN3O4 and a molecular weight of 441.92 g/mol. Its IUPAC name is [6-chloro-4-[(3,4-dimethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-chloro-4-[(3,4-dimethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
PubChem CID53333943
Molecular FormulaC23H24ClN3O4
Molecular Weight441.92 g/mol
Exact Mass441.15
IUPAC Name[6-chloro-4-[(3,4-dimethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(CNc2c(C(=O)N3CCOCC3)cnc3ccc(Cl)cc23)cc1OC
InChIInChI=1S/C23H24ClN3O4/c1-29-20-6-3-15(11-21(20)30-2)13-26-22-17-12-16(24)4-5-19(17)25-14-18(22)23(28)27-7-9-31-10-8-27/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,25,26)
InChIKeyVOMQZNLSLCENDA-UHFFFAOYSA-N
XLogP3.99
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [6-chloro-4-[(3,4-dimethoxyphenyl)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-ethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53333938
[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-ethoxy-4-methoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53333929
4-[(3-chloro-4-methoxyphenyl)methylamino]-3-(thiomorpholine-4-carbonyl)quinoline-6-carbonitrile
CID 70010538
[4-[(3-chloro-4-fluorophenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53333912
[5-[(3,4-dimethoxyphenyl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109276428
[6-chloro-4-(5-chloro-2,4-dimethoxyanilino)quinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53001764
[6-chloro-4-(2,4-dimethoxyanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 53335880
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 99957286
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 43001761

Frequently Asked Questions

What is the IUPAC name of [6-chloro-4-[(3,4-dimethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-chloro-4-[(3,4-dimethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone (CID 53333943) is [6-chloro-4-[(3,4-dimethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-chloro-4-[(3,4-dimethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-chloro-4-[(3,4-dimethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone is COc1ccc(CNc2c(C(=O)N3CCOCC3)cnc3ccc(Cl)cc23)cc1OC.
What is the InChIKey of [6-chloro-4-[(3,4-dimethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is VOMQZNLSLCENDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4/c1-29-20-6-3-15(11-21(20)30-2)13-26-22-17-12-16(24)4-5-19(17)25-14-18(22)23(28)27-7-9-31-10-8-27/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,25,26).
What are the key properties of [6-chloro-4-[(3,4-dimethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone?
[6-chloro-4-[(3,4-dimethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 441.92 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-4-[(3,4-dimethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 53333943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).