1-[4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]-2-iminoethanone

C22H20ClN3O2 — CID 171492179

IUPAC1-[4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]-2-iminoethanone
SMILES[H]/N=C/C(=O)c1ccc(-c2cc(CN3CCOCC3)c3ccc(Cl)cc3n2)cc1
InChIInChI=1S/C22H20ClN3O2/c23-18-5-6-19-17(14-26-7-9-28-10-8-26)11-20(25-21(19)12-18)15-1-3-16(4-2-15)22(27)13-24/h1-6,11-13,24H,7-10,14H2/b24-13+
InChIKeyOWTYJHYGWVGTSR-ZMOGYAJESA-N
MW393.87 g/mol
LogP4.22
Rot. Bonds5

About 1-[4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]-2-iminoethanone

1-[4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]-2-iminoethanone (PubChem CID 171492179) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 1-[4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]-2-iminoethanone.

Molecular Properties

Compound Name1-[4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]-2-iminoethanone
PubChem CID171492179
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name1-[4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]-2-iminoethanone
SMILES[H]/N=C/C(=O)c1ccc(-c2cc(CN3CCOCC3)c3ccc(Cl)cc3n2)cc1
InChIInChI=1S/C22H20ClN3O2/c23-18-5-6-19-17(14-26-7-9-28-10-8-26)11-20(25-21(19)12-18)15-1-3-16(4-2-15)22(27)13-24/h1-6,11-13,24H,7-10,14H2/b24-13+
InChIKeyOWTYJHYGWVGTSR-ZMOGYAJESA-N
XLogP4.22
TPSA66.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzonitrile
CID 171492279
methyl 4-[7-cyano-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzoate
CID 171492195
1-[2-chloro-4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]propan-2-one;1-[2-chloro-4-[7-isocyano-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]propan-2-one;5-[7-isocyano-4-(morpholin-4-ylmethyl)quinolin-2-yl]-2-(2-oxopropyl)benzonitrile
CID 160654002
5-[7-fluoro-4-(morpholin-4-ylmethyl)quinolin-2-yl]-2-(2-oxopropyl)benzonitrile
CID 160642239
3-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117465659
4-[[4-[6-fluoro-4-[(4-propylpiperazin-1-yl)methyl]quinolin-2-yl]phenyl]methyl]morpholine
CID 155532654
(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724233
N-(1-benzylpiperidin-4-yl)-7-chloro-2-phenylquinoline-4-carboxamide
CID 86272150
(2,5-dichlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724256
2-amino-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyrimidine-4-carboxylic acid
CID 68760205
2-methyl-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxylic acid
CID 91341400
3-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117463545

Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]-2-iminoethanone?
The IUPAC name of 1-[4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]-2-iminoethanone (CID 171492179) is 1-[4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]-2-iminoethanone.
What is the SMILES notation for 1-[4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]-2-iminoethanone?
The canonical SMILES for 1-[4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]-2-iminoethanone is [H]/N=C/C(=O)c1ccc(-c2cc(CN3CCOCC3)c3ccc(Cl)cc3n2)cc1.
What is the InChIKey of 1-[4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]-2-iminoethanone?
The InChIKey is OWTYJHYGWVGTSR-ZMOGYAJESA-N. The full InChI is InChI=1S/C22H20ClN3O2/c23-18-5-6-19-17(14-26-7-9-28-10-8-26)11-20(25-21(19)12-18)15-1-3-16(4-2-15)22(27)13-24/h1-6,11-13,24H,7-10,14H2/b24-13+.
What are the key properties of 1-[4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]-2-iminoethanone?
1-[4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]-2-iminoethanone has a molecular weight of 393.87 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]-2-iminoethanone is sourced from PubChem (CID 171492179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).