cinnolin-4-yl(3,6-dihydro-2H-pyridin-1-yl)methanone

C14H13N3O — CID 141178404

IUPACcinnolin-4-yl(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1cnnc2ccccc12)N1CC=CCC1
InChIInChI=1S/C14H13N3O/c18-14(17-8-4-1-5-9-17)12-10-15-16-13-7-3-2-6-11(12)13/h1-4,6-7,10H,5,8-9H2
InChIKeyMHLJPGFITDQFGP-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.03
Rot. Bonds1

About cinnolin-4-yl(3,6-dihydro-2H-pyridin-1-yl)methanone

cinnolin-4-yl(3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 141178404) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is cinnolin-4-yl(3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Namecinnolin-4-yl(3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID141178404
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Namecinnolin-4-yl(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1cnnc2ccccc12)N1CC=CCC1
InChIInChI=1S/C14H13N3O/c18-14(17-8-4-1-5-9-17)12-10-15-16-13-7-3-2-6-11(12)13/h1-4,6-7,10H,5,8-9H2
InChIKeyMHLJPGFITDQFGP-UHFFFAOYSA-N
XLogP2.03
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-chloroquinolin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114408574
3,6-dihydro-2H-pyridin-1-yl-(2-iodophenyl)methanone
CID 10881534
3,6-dihydro-2H-pyridin-1-yl-(2-sulfanylphenyl)methanone
CID 107036222
[4-(4-chlorophenoxy)piperidin-1-yl]-cinnolin-4-ylmethanone
CID 67168153
3,6-dihydro-2H-pyridin-1-yl(isoquinolin-1-yl)methanone
CID 141178399
cinnolin-4-yl-[5-(4,6-dimethylpyrimidin-2-yl)-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]methanone
CID 67116974
(5-amino-1-methylpyrazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 104600720
2-(3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide
CID 114412238
(6-chloropyridazin-3-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114408589
3,6-dihydro-2H-pyridin-1-yl-[2-(ethylamino)phenyl]methanone
CID 114411450
[4-[4-[(4-bromophenyl)-(ethoxyamino)methylidene]piperidin-1-yl]-4-methylpiperidin-1-yl]-cinnolin-4-ylmethanone
CID 91455622
(3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 51161951

Frequently Asked Questions

What is the IUPAC name of cinnolin-4-yl(3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of cinnolin-4-yl(3,6-dihydro-2H-pyridin-1-yl)methanone (CID 141178404) is cinnolin-4-yl(3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for cinnolin-4-yl(3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for cinnolin-4-yl(3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(c1cnnc2ccccc12)N1CC=CCC1.
What is the InChIKey of cinnolin-4-yl(3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is MHLJPGFITDQFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c18-14(17-8-4-1-5-9-17)12-10-15-16-13-7-3-2-6-11(12)13/h1-4,6-7,10H,5,8-9H2.
What are the key properties of cinnolin-4-yl(3,6-dihydro-2H-pyridin-1-yl)methanone?
cinnolin-4-yl(3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 239.28 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cinnolin-4-yl(3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 141178404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).