5-chloro-1-(1-methoxybutan-2-yl)-7-methyl-2,3-dihydro-1,6-naphthyridin-4-one

C14H19ClN2O2 — CID 11346600

IUPAC5-chloro-1-(1-methoxybutan-2-yl)-7-methyl-2,3-dihydro-1,6-naphthyridin-4-one
SMILESCCC(COC)N1CCC(=O)c2c1cc(C)nc2Cl
InChIInChI=1S/C14H19ClN2O2/c1-4-10(8-19-3)17-6-5-12(18)13-11(17)7-9(2)16-14(13)15/h7,10H,4-6,8H2,1-3H3
InChIKeyIUGVPZRZEFMHES-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.86
Rot. Bonds4

About 5-chloro-1-(1-methoxybutan-2-yl)-7-methyl-2,3-dihydro-1,6-naphthyridin-4-one

5-chloro-1-(1-methoxybutan-2-yl)-7-methyl-2,3-dihydro-1,6-naphthyridin-4-one (PubChem CID 11346600) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 5-chloro-1-(1-methoxybutan-2-yl)-7-methyl-2,3-dihydro-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name5-chloro-1-(1-methoxybutan-2-yl)-7-methyl-2,3-dihydro-1,6-naphthyridin-4-one
PubChem CID11346600
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name5-chloro-1-(1-methoxybutan-2-yl)-7-methyl-2,3-dihydro-1,6-naphthyridin-4-one
SMILESCCC(COC)N1CCC(=O)c2c1cc(C)nc2Cl
InChIInChI=1S/C14H19ClN2O2/c1-4-10(8-19-3)17-6-5-12(18)13-11(17)7-9(2)16-14(13)15/h7,10H,4-6,8H2,1-3H3
InChIKeyIUGVPZRZEFMHES-UHFFFAOYSA-N
XLogP2.86
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.86
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(1-methoxybutan-2-yl)-7-methyl-2,3-dihydro-1,6-naphthyridin-4-one?
The IUPAC name of 5-chloro-1-(1-methoxybutan-2-yl)-7-methyl-2,3-dihydro-1,6-naphthyridin-4-one (CID 11346600) is 5-chloro-1-(1-methoxybutan-2-yl)-7-methyl-2,3-dihydro-1,6-naphthyridin-4-one.
What is the SMILES notation for 5-chloro-1-(1-methoxybutan-2-yl)-7-methyl-2,3-dihydro-1,6-naphthyridin-4-one?
The canonical SMILES for 5-chloro-1-(1-methoxybutan-2-yl)-7-methyl-2,3-dihydro-1,6-naphthyridin-4-one is CCC(COC)N1CCC(=O)c2c1cc(C)nc2Cl.
What is the InChIKey of 5-chloro-1-(1-methoxybutan-2-yl)-7-methyl-2,3-dihydro-1,6-naphthyridin-4-one?
The InChIKey is IUGVPZRZEFMHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-4-10(8-19-3)17-6-5-12(18)13-11(17)7-9(2)16-14(13)15/h7,10H,4-6,8H2,1-3H3.
What are the key properties of 5-chloro-1-(1-methoxybutan-2-yl)-7-methyl-2,3-dihydro-1,6-naphthyridin-4-one?
5-chloro-1-(1-methoxybutan-2-yl)-7-methyl-2,3-dihydro-1,6-naphthyridin-4-one has a molecular weight of 282.77 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(1-methoxybutan-2-yl)-7-methyl-2,3-dihydro-1,6-naphthyridin-4-one is sourced from PubChem (CID 11346600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).