(2-chloroquinolin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone

C16H17ClN2O2 — CID 43430898

IUPAC(2-chloroquinolin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2cc(Cl)nc3ccccc23)CCO1
InChIInChI=1S/C16H17ClN2O2/c1-16(2)10-19(7-8-21-16)15(20)12-9-14(17)18-13-6-4-3-5-11(12)13/h3-6,9H,7-8,10H2,1-2H3
InChIKeyZCDHCPGWMOCRII-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.14
Rot. Bonds1

About (2-chloroquinolin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone

(2-chloroquinolin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone (PubChem CID 43430898) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is (2-chloroquinolin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-chloroquinolin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone
PubChem CID43430898
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name(2-chloroquinolin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2cc(Cl)nc3ccccc23)CCO1
InChIInChI=1S/C16H17ClN2O2/c1-16(2)10-19(7-8-21-16)15(20)12-9-14(17)18-13-6-4-3-5-11(12)13/h3-6,9H,7-8,10H2,1-2H3
InChIKeyZCDHCPGWMOCRII-UHFFFAOYSA-N
XLogP3.14
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2,2-dimethyl-1,4-oxazepan-4-yl)-(2-methoxyquinolin-4-yl)methanone
CID 138034545
4-(2-chloroquinoline-4-carbonyl)morpholine-2-carbonitrile
CID 78945462
(2-chloroquinolin-4-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678213
(2-chloroquinolin-4-yl)-(1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 119040009
(2-chloroquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 8010507
(2-chloroquinolin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 104920816
(5-chloro-2-iodophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 113222975
(2-chloroquinolin-4-yl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 43319697
(2,2-dimethylmorpholin-4-yl)-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 51114484
(2,2-dimethylmorpholin-4-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82793785
(6-amino-2-pyridinyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 55052527
(2,2-dimethylmorpholin-4-yl)-(1H-indol-2-yl)methanone
CID 35020495

Frequently Asked Questions

What is the IUPAC name of (2-chloroquinolin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (2-chloroquinolin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone (CID 43430898) is (2-chloroquinolin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-chloroquinolin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (2-chloroquinolin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone is CC1(C)CN(C(=O)c2cc(Cl)nc3ccccc23)CCO1.
What is the InChIKey of (2-chloroquinolin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone?
The InChIKey is ZCDHCPGWMOCRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-16(2)10-19(7-8-21-16)15(20)12-9-14(17)18-13-6-4-3-5-11(12)13/h3-6,9H,7-8,10H2,1-2H3.
What are the key properties of (2-chloroquinolin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone?
(2-chloroquinolin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone has a molecular weight of 304.78 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloroquinolin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 43430898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).