2-(7-chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxohexyl)-2,3-dihydroinden-1-one

C24H23ClN2O2 — CID 23393328

IUPAC2-(7-chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxohexyl)-2,3-dihydroinden-1-one
SMILESCC(C)CCC(=O)CC1c2ccccc2C(=O)C1c1ccc2ccc(Cl)nc2n1
InChIInChI=1S/C24H23ClN2O2/c1-14(2)7-10-16(28)13-19-17-5-3-4-6-18(17)23(29)22(19)20-11-8-15-9-12-21(25)27-24(15)26-20/h3-6,8-9,11-12,14,19,22H,7,10,13H2,1-2H3
InChIKeyGTRRDPXGWKAFQI-UHFFFAOYSA-N
MW406.91 g/mol
LogP5.74
Rot. Bonds6

About 2-(7-chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxohexyl)-2,3-dihydroinden-1-one

2-(7-chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxohexyl)-2,3-dihydroinden-1-one (PubChem CID 23393328) has the molecular formula C24H23ClN2O2 and a molecular weight of 406.91 g/mol. Its IUPAC name is 2-(7-chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxohexyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-(7-chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxohexyl)-2,3-dihydroinden-1-one
PubChem CID23393328
Molecular FormulaC24H23ClN2O2
Molecular Weight406.91 g/mol
Exact Mass406.14
IUPAC Name2-(7-chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxohexyl)-2,3-dihydroinden-1-one
SMILESCC(C)CCC(=O)CC1c2ccccc2C(=O)C1c1ccc2ccc(Cl)nc2n1
InChIInChI=1S/C24H23ClN2O2/c1-14(2)7-10-16(28)13-19-17-5-3-4-6-18(17)23(29)22(19)20-11-8-15-9-12-21(25)27-24(15)26-20/h3-6,8-9,11-12,14,19,22H,7,10,13H2,1-2H3
InChIKeyGTRRDPXGWKAFQI-UHFFFAOYSA-N
XLogP5.74
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.91
LogP ≤ 55.74
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 2-(7-chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxohexyl)-2,3-dihydroinden-1-one?
The IUPAC name of 2-(7-chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxohexyl)-2,3-dihydroinden-1-one (CID 23393328) is 2-(7-chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxohexyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-(7-chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxohexyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 2-(7-chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxohexyl)-2,3-dihydroinden-1-one is CC(C)CCC(=O)CC1c2ccccc2C(=O)C1c1ccc2ccc(Cl)nc2n1.
What is the InChIKey of 2-(7-chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxohexyl)-2,3-dihydroinden-1-one?
The InChIKey is GTRRDPXGWKAFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O2/c1-14(2)7-10-16(28)13-19-17-5-3-4-6-18(17)23(29)22(19)20-11-8-15-9-12-21(25)27-24(15)26-20/h3-6,8-9,11-12,14,19,22H,7,10,13H2,1-2H3.
What are the key properties of 2-(7-chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxohexyl)-2,3-dihydroinden-1-one?
2-(7-chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxohexyl)-2,3-dihydroinden-1-one has a molecular weight of 406.91 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxohexyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 23393328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).