7-chloro-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one;quinoline-3-carboxylic acid

C21H15ClFN3O3 — CID 159130143

IUPAC7-chloro-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one;quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2ccccc2c1.O=c1ccn(C2CC2)c2nc(Cl)c(F)cc12
InChIInChI=1S/C11H8ClFN2O.C10H7NO2/c12-10-8(13)5-7-9(16)3-4-15(6-1-2-6)11(7)14-10;12-10(13)8-5-7-3-1-2-4-9(7)11-6-8/h3-6H,1-2H2;1-6H,(H,12,13)
InChIKeyKGUAJDPIMKYEQQ-UHFFFAOYSA-N
MW411.82 g/mol
LogP4.46
Rot. Bonds2

About 7-chloro-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one;quinoline-3-carboxylic acid

7-chloro-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one;quinoline-3-carboxylic acid (PubChem CID 159130143) has the molecular formula C21H15ClFN3O3 and a molecular weight of 411.82 g/mol. Its IUPAC name is 7-chloro-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one;quinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one;quinoline-3-carboxylic acid
PubChem CID159130143
Molecular FormulaC21H15ClFN3O3
Molecular Weight411.82 g/mol
Exact Mass411.08
IUPAC Name7-chloro-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one;quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2ccccc2c1.O=c1ccn(C2CC2)c2nc(Cl)c(F)cc12
InChIInChI=1S/C11H8ClFN2O.C10H7NO2/c12-10-8(13)5-7-9(16)3-4-15(6-1-2-6)11(7)14-10;12-10(13)8-5-7-3-1-2-4-9(7)11-6-8/h3-6H,1-2H2;1-6H,(H,12,13)
InChIKeyKGUAJDPIMKYEQQ-UHFFFAOYSA-N
XLogP4.46
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.82
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one;quinoline-3-carboxylic acid?
The IUPAC name of 7-chloro-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one;quinoline-3-carboxylic acid (CID 159130143) is 7-chloro-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one;quinoline-3-carboxylic acid.
What is the SMILES notation for 7-chloro-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one;quinoline-3-carboxylic acid?
The canonical SMILES for 7-chloro-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one;quinoline-3-carboxylic acid is O=C(O)c1cnc2ccccc2c1.O=c1ccn(C2CC2)c2nc(Cl)c(F)cc12.
What is the InChIKey of 7-chloro-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one;quinoline-3-carboxylic acid?
The InChIKey is KGUAJDPIMKYEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O.C10H7NO2/c12-10-8(13)5-7-9(16)3-4-15(6-1-2-6)11(7)14-10;12-10(13)8-5-7-3-1-2-4-9(7)11-6-8/h3-6H,1-2H2;1-6H,(H,12,13).
What are the key properties of 7-chloro-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one;quinoline-3-carboxylic acid?
7-chloro-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one;quinoline-3-carboxylic acid has a molecular weight of 411.82 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one;quinoline-3-carboxylic acid is sourced from PubChem (CID 159130143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).