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

C22H22ClN3O2 — CID 53333971

IUPAC[6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
SMILESCc1cccc(CNc2c(C(=O)N3CCOCC3)cnc3ccc(Cl)cc23)c1
InChIInChI=1S/C22H22ClN3O2/c1-15-3-2-4-16(11-15)13-25-21-18-12-17(23)5-6-20(18)24-14-19(21)22(27)26-7-9-28-10-8-26/h2-6,11-12,14H,7-10,13H2,1H3,(H,24,25)
InChIKeyRJSIHNMOLILVNN-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.28
Rot. Bonds4

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

[6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone (PubChem CID 53333971) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is [6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
PubChem CID53333971
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name[6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
SMILESCc1cccc(CNc2c(C(=O)N3CCOCC3)cnc3ccc(Cl)cc23)c1
InChIInChI=1S/C22H22ClN3O2/c1-15-3-2-4-16(11-15)13-25-21-18-12-17(23)5-6-20(18)24-14-19(21)22(27)26-7-9-28-10-8-26/h2-6,11-12,14H,7-10,13H2,1H3,(H,24,25)
InChIKeyRJSIHNMOLILVNN-UHFFFAOYSA-N
XLogP4.28
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone (CID 53333971) is [6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone is Cc1cccc(CNc2c(C(=O)N3CCOCC3)cnc3ccc(Cl)cc23)c1.
What is the InChIKey of [6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is RJSIHNMOLILVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-15-3-2-4-16(11-15)13-25-21-18-12-17(23)5-6-20(18)24-14-19(21)22(27)26-7-9-28-10-8-26/h2-6,11-12,14H,7-10,13H2,1H3,(H,24,25).
What are the key properties of [6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone?
[6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 395.89 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 53333971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).