(4,6-dichloroquinolin-3-yl)-morpholin-2-ylmethanone

C14H12Cl2N2O2 — CID 175592769

IUPAC(4,6-dichloroquinolin-3-yl)-morpholin-2-ylmethanone
SMILESO=C(c1cnc2ccc(Cl)cc2c1Cl)C1CNCCO1
InChIInChI=1S/C14H12Cl2N2O2/c15-8-1-2-11-9(5-8)13(16)10(6-18-11)14(19)12-7-17-3-4-20-12/h1-2,5-6,12,17H,3-4,7H2
InChIKeyMGJRSISSNAPSGJ-UHFFFAOYSA-N
MW311.17 g/mol
LogP2.71
Rot. Bonds2

About (4,6-dichloroquinolin-3-yl)-morpholin-2-ylmethanone

(4,6-dichloroquinolin-3-yl)-morpholin-2-ylmethanone (PubChem CID 175592769) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is (4,6-dichloroquinolin-3-yl)-morpholin-2-ylmethanone.

Molecular Properties

Compound Name(4,6-dichloroquinolin-3-yl)-morpholin-2-ylmethanone
PubChem CID175592769
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name(4,6-dichloroquinolin-3-yl)-morpholin-2-ylmethanone
SMILESO=C(c1cnc2ccc(Cl)cc2c1Cl)C1CNCCO1
InChIInChI=1S/C14H12Cl2N2O2/c15-8-1-2-11-9(5-8)13(16)10(6-18-11)14(19)12-7-17-3-4-20-12/h1-2,5-6,12,17H,3-4,7H2
InChIKeyMGJRSISSNAPSGJ-UHFFFAOYSA-N
XLogP2.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7-fluoro-2,3-dihydro-1H-inden-4-yl)-morpholin-2-ylmethanone
CID 174513546
(2-methylphenyl)-morpholin-2-ylmethanone
CID 84673271
5-chloro-2-morpholin-2-ylbenzoic acid
CID 174949495
[2-(3,5-dichloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]-morpholin-2-ylmethanone
CID 69037183
(5-fluoro-3-pyridinyl)-morpholin-2-ylmethanone
CID 116561776
[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119769231
(3-hydroxyphenyl)-morpholin-2-ylmethanone
CID 84675045
5-chloro-2-fluoro-N-(2-morpholin-2-ylethyl)benzamide
CID 117044843
N-(2-bromo-4-chlorophenyl)morpholine-2-carboxamide
CID 81263696
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide
CID 119687344
(2S)-2-[4-[(6-chloroquinazolin-4-yl)methyl]phenyl]morpholine
CID 159619317
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119848066

Frequently Asked Questions

What is the IUPAC name of (4,6-dichloroquinolin-3-yl)-morpholin-2-ylmethanone?
The IUPAC name of (4,6-dichloroquinolin-3-yl)-morpholin-2-ylmethanone (CID 175592769) is (4,6-dichloroquinolin-3-yl)-morpholin-2-ylmethanone.
What is the SMILES notation for (4,6-dichloroquinolin-3-yl)-morpholin-2-ylmethanone?
The canonical SMILES for (4,6-dichloroquinolin-3-yl)-morpholin-2-ylmethanone is O=C(c1cnc2ccc(Cl)cc2c1Cl)C1CNCCO1.
What is the InChIKey of (4,6-dichloroquinolin-3-yl)-morpholin-2-ylmethanone?
The InChIKey is MGJRSISSNAPSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c15-8-1-2-11-9(5-8)13(16)10(6-18-11)14(19)12-7-17-3-4-20-12/h1-2,5-6,12,17H,3-4,7H2.
What are the key properties of (4,6-dichloroquinolin-3-yl)-morpholin-2-ylmethanone?
(4,6-dichloroquinolin-3-yl)-morpholin-2-ylmethanone has a molecular weight of 311.17 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dichloroquinolin-3-yl)-morpholin-2-ylmethanone is sourced from PubChem (CID 175592769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).