1-(3-nitrophenyl)-3-[3-(1,3-thiazol-2-yl)propyl]-1,8-naphthyridin-2-one

C20H16N4O3S — CID 18002631

IUPAC1-(3-nitrophenyl)-3-[3-(1,3-thiazol-2-yl)propyl]-1,8-naphthyridin-2-one
SMILESO=c1c(CCCc2nccs2)cc2cccnc2n1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H16N4O3S/c25-20-15(4-1-8-18-21-10-11-28-18)12-14-5-3-9-22-19(14)23(20)16-6-2-7-17(13-16)24(26)27/h2-3,5-7,9-13H,1,4,8H2
InChIKeyFNRBWUZEKAMTFS-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.93
Rot. Bonds6

About 1-(3-nitrophenyl)-3-[3-(1,3-thiazol-2-yl)propyl]-1,8-naphthyridin-2-one

1-(3-nitrophenyl)-3-[3-(1,3-thiazol-2-yl)propyl]-1,8-naphthyridin-2-one (PubChem CID 18002631) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is 1-(3-nitrophenyl)-3-[3-(1,3-thiazol-2-yl)propyl]-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-(3-nitrophenyl)-3-[3-(1,3-thiazol-2-yl)propyl]-1,8-naphthyridin-2-one
PubChem CID18002631
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC Name1-(3-nitrophenyl)-3-[3-(1,3-thiazol-2-yl)propyl]-1,8-naphthyridin-2-one
SMILESO=c1c(CCCc2nccs2)cc2cccnc2n1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H16N4O3S/c25-20-15(4-1-8-18-21-10-11-28-18)12-14-5-3-9-22-19(14)23(20)16-6-2-7-17(13-16)24(26)27/h2-3,5-7,9-13H,1,4,8H2
InChIKeyFNRBWUZEKAMTFS-UHFFFAOYSA-N
XLogP3.93
TPSA90.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-nitrophenyl)-3-[3-(1,3-thiazol-2-yl)propyl]-1,8-naphthyridin-2-one?
The IUPAC name of 1-(3-nitrophenyl)-3-[3-(1,3-thiazol-2-yl)propyl]-1,8-naphthyridin-2-one (CID 18002631) is 1-(3-nitrophenyl)-3-[3-(1,3-thiazol-2-yl)propyl]-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-(3-nitrophenyl)-3-[3-(1,3-thiazol-2-yl)propyl]-1,8-naphthyridin-2-one?
The canonical SMILES for 1-(3-nitrophenyl)-3-[3-(1,3-thiazol-2-yl)propyl]-1,8-naphthyridin-2-one is O=c1c(CCCc2nccs2)cc2cccnc2n1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-(3-nitrophenyl)-3-[3-(1,3-thiazol-2-yl)propyl]-1,8-naphthyridin-2-one?
The InChIKey is FNRBWUZEKAMTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c25-20-15(4-1-8-18-21-10-11-28-18)12-14-5-3-9-22-19(14)23(20)16-6-2-7-17(13-16)24(26)27/h2-3,5-7,9-13H,1,4,8H2.
What are the key properties of 1-(3-nitrophenyl)-3-[3-(1,3-thiazol-2-yl)propyl]-1,8-naphthyridin-2-one?
1-(3-nitrophenyl)-3-[3-(1,3-thiazol-2-yl)propyl]-1,8-naphthyridin-2-one has a molecular weight of 392.44 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitrophenyl)-3-[3-(1,3-thiazol-2-yl)propyl]-1,8-naphthyridin-2-one is sourced from PubChem (CID 18002631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).