4-(2-chloroquinoline-4-carbonyl)morpholine-2-carbonitrile

C15H12ClN3O2 — CID 78945462

IUPAC4-(2-chloroquinoline-4-carbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2cc(Cl)nc3ccccc23)CCO1
InChIInChI=1S/C15H12ClN3O2/c16-14-7-12(11-3-1-2-4-13(11)18-14)15(20)19-5-6-21-10(8-17)9-19/h1-4,7,10H,5-6,9H2
InChIKeyZZHRVHYFRLGCGT-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.25
Rot. Bonds1

About 4-(2-chloroquinoline-4-carbonyl)morpholine-2-carbonitrile

4-(2-chloroquinoline-4-carbonyl)morpholine-2-carbonitrile (PubChem CID 78945462) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 4-(2-chloroquinoline-4-carbonyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(2-chloroquinoline-4-carbonyl)morpholine-2-carbonitrile
PubChem CID78945462
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name4-(2-chloroquinoline-4-carbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2cc(Cl)nc3ccccc23)CCO1
InChIInChI=1S/C15H12ClN3O2/c16-14-7-12(11-3-1-2-4-13(11)18-14)15(20)19-5-6-21-10(8-17)9-19/h1-4,7,10H,5-6,9H2
InChIKeyZZHRVHYFRLGCGT-UHFFFAOYSA-N
XLogP2.25
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(quinoline-2-carbonyl)morpholine-2-carbonitrile
CID 78945922
4-(3-aminonaphthalene-2-carbonyl)morpholine-2-carbonitrile
CID 79670203
4-(2,3-dichlorobenzoyl)morpholine-2-carbonitrile
CID 78945716
(2-chloroquinolin-4-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678213
4-(5-bromo-2-chlorobenzoyl)morpholine-2-carbonitrile
CID 78945745
(2-chloroquinolin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 43430898
4-(3,4-dichlorobenzoyl)morpholine-2-carbonitrile
CID 78945567
4-(2,4-dihydroxybenzoyl)morpholine-2-carbonitrile
CID 103892457
(2-chloroquinolin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 104920816
4-(6-chloropyridazine-3-carbonyl)morpholine-2-carbonitrile
CID 79674643
4-[2-chloro-6-(methylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile
CID 78954257
4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]morpholine-2-carbonitrile
CID 154859618

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroquinoline-4-carbonyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(2-chloroquinoline-4-carbonyl)morpholine-2-carbonitrile (CID 78945462) is 4-(2-chloroquinoline-4-carbonyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(2-chloroquinoline-4-carbonyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(2-chloroquinoline-4-carbonyl)morpholine-2-carbonitrile is N#CC1CN(C(=O)c2cc(Cl)nc3ccccc23)CCO1.
What is the InChIKey of 4-(2-chloroquinoline-4-carbonyl)morpholine-2-carbonitrile?
The InChIKey is ZZHRVHYFRLGCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c16-14-7-12(11-3-1-2-4-13(11)18-14)15(20)19-5-6-21-10(8-17)9-19/h1-4,7,10H,5-6,9H2.
What are the key properties of 4-(2-chloroquinoline-4-carbonyl)morpholine-2-carbonitrile?
4-(2-chloroquinoline-4-carbonyl)morpholine-2-carbonitrile has a molecular weight of 301.73 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroquinoline-4-carbonyl)morpholine-2-carbonitrile is sourced from PubChem (CID 78945462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).