(2S)-2-[(6-chloroquinolin-8-yl)methylamino]-1-morpholin-4-ylbutan-1-one

C18H22ClN3O2 — CID 97228631

IUPAC(2S)-2-[(6-chloroquinolin-8-yl)methylamino]-1-morpholin-4-ylbutan-1-one
SMILESCC[C@H](NCc1cc(Cl)cc2cccnc12)C(=O)N1CCOCC1
InChIInChI=1S/C18H22ClN3O2/c1-2-16(18(23)22-6-8-24-9-7-22)21-12-14-11-15(19)10-13-4-3-5-20-17(13)14/h3-5,10-11,16,21H,2,6-9,12H2,1H3/t16-/m0/s1
InChIKeyUGNUOUGEAZIQKM-INIZCTEOSA-N
MW347.85 g/mol
LogP2.62
Rot. Bonds5

About (2S)-2-[(6-chloroquinolin-8-yl)methylamino]-1-morpholin-4-ylbutan-1-one

(2S)-2-[(6-chloroquinolin-8-yl)methylamino]-1-morpholin-4-ylbutan-1-one (PubChem CID 97228631) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is (2S)-2-[(6-chloroquinolin-8-yl)methylamino]-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-[(6-chloroquinolin-8-yl)methylamino]-1-morpholin-4-ylbutan-1-one
PubChem CID97228631
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name(2S)-2-[(6-chloroquinolin-8-yl)methylamino]-1-morpholin-4-ylbutan-1-one
SMILESCC[C@H](NCc1cc(Cl)cc2cccnc12)C(=O)N1CCOCC1
InChIInChI=1S/C18H22ClN3O2/c1-2-16(18(23)22-6-8-24-9-7-22)21-12-14-11-15(19)10-13-4-3-5-20-17(13)14/h3-5,10-11,16,21H,2,6-9,12H2,1H3/t16-/m0/s1
InChIKeyUGNUOUGEAZIQKM-INIZCTEOSA-N
XLogP2.62
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-chloroquinolin-8-yl)methylamino]-1-morpholin-4-ylbutan-1-one?
The IUPAC name of (2S)-2-[(6-chloroquinolin-8-yl)methylamino]-1-morpholin-4-ylbutan-1-one (CID 97228631) is (2S)-2-[(6-chloroquinolin-8-yl)methylamino]-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for (2S)-2-[(6-chloroquinolin-8-yl)methylamino]-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for (2S)-2-[(6-chloroquinolin-8-yl)methylamino]-1-morpholin-4-ylbutan-1-one is CC[C@H](NCc1cc(Cl)cc2cccnc12)C(=O)N1CCOCC1.
What is the InChIKey of (2S)-2-[(6-chloroquinolin-8-yl)methylamino]-1-morpholin-4-ylbutan-1-one?
The InChIKey is UGNUOUGEAZIQKM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-2-16(18(23)22-6-8-24-9-7-22)21-12-14-11-15(19)10-13-4-3-5-20-17(13)14/h3-5,10-11,16,21H,2,6-9,12H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-2-[(6-chloroquinolin-8-yl)methylamino]-1-morpholin-4-ylbutan-1-one?
(2S)-2-[(6-chloroquinolin-8-yl)methylamino]-1-morpholin-4-ylbutan-1-one has a molecular weight of 347.85 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-chloroquinolin-8-yl)methylamino]-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 97228631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).