7-chloro-1-propan-2-yl-3,4-dihydro-1,8-naphthyridin-2-one

C11H13ClN2O — CID 89022817

IUPAC7-chloro-1-propan-2-yl-3,4-dihydro-1,8-naphthyridin-2-one
SMILESCC(C)N1C(=O)CCc2ccc(Cl)nc21
InChIInChI=1S/C11H13ClN2O/c1-7(2)14-10(15)6-4-8-3-5-9(12)13-11(8)14/h3,5,7H,4,6H2,1-2H3
InChIKeyGDXXUFVEFGBCLM-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.42
Rot. Bonds1

About 7-chloro-1-propan-2-yl-3,4-dihydro-1,8-naphthyridin-2-one

7-chloro-1-propan-2-yl-3,4-dihydro-1,8-naphthyridin-2-one (PubChem CID 89022817) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 7-chloro-1-propan-2-yl-3,4-dihydro-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-chloro-1-propan-2-yl-3,4-dihydro-1,8-naphthyridin-2-one
PubChem CID89022817
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name7-chloro-1-propan-2-yl-3,4-dihydro-1,8-naphthyridin-2-one
SMILESCC(C)N1C(=O)CCc2ccc(Cl)nc21
InChIInChI=1S/C11H13ClN2O/c1-7(2)14-10(15)6-4-8-3-5-9(12)13-11(8)14/h3,5,7H,4,6H2,1-2H3
InChIKeyGDXXUFVEFGBCLM-UHFFFAOYSA-N
XLogP2.42
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-propan-2-yl-3,4-dihydro-1,8-naphthyridin-2-one?
The IUPAC name of 7-chloro-1-propan-2-yl-3,4-dihydro-1,8-naphthyridin-2-one (CID 89022817) is 7-chloro-1-propan-2-yl-3,4-dihydro-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-chloro-1-propan-2-yl-3,4-dihydro-1,8-naphthyridin-2-one?
The canonical SMILES for 7-chloro-1-propan-2-yl-3,4-dihydro-1,8-naphthyridin-2-one is CC(C)N1C(=O)CCc2ccc(Cl)nc21.
What is the InChIKey of 7-chloro-1-propan-2-yl-3,4-dihydro-1,8-naphthyridin-2-one?
The InChIKey is GDXXUFVEFGBCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-7(2)14-10(15)6-4-8-3-5-9(12)13-11(8)14/h3,5,7H,4,6H2,1-2H3.
What are the key properties of 7-chloro-1-propan-2-yl-3,4-dihydro-1,8-naphthyridin-2-one?
7-chloro-1-propan-2-yl-3,4-dihydro-1,8-naphthyridin-2-one has a molecular weight of 224.69 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-propan-2-yl-3,4-dihydro-1,8-naphthyridin-2-one is sourced from PubChem (CID 89022817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).