7-chloro-6-fluoro-1-prop-2-enyl-2-(prop-2-enylamino)-1,8-naphthyridin-4-one

C14H13ClFN3O — CID 20790398

IUPAC7-chloro-6-fluoro-1-prop-2-enyl-2-(prop-2-enylamino)-1,8-naphthyridin-4-one
SMILESC=CCNc1cc(=O)c2cc(F)c(Cl)nc2n1CC=C
InChIInChI=1S/C14H13ClFN3O/c1-3-5-17-12-8-11(20)9-7-10(16)13(15)18-14(9)19(12)6-4-2/h3-4,7-8,17H,1-2,5-6H2
InChIKeySQNHFSAAAJMLGZ-UHFFFAOYSA-N
MW293.73 g/mol
LogP2.97
Rot. Bonds5

About 7-chloro-6-fluoro-1-prop-2-enyl-2-(prop-2-enylamino)-1,8-naphthyridin-4-one

7-chloro-6-fluoro-1-prop-2-enyl-2-(prop-2-enylamino)-1,8-naphthyridin-4-one (PubChem CID 20790398) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is 7-chloro-6-fluoro-1-prop-2-enyl-2-(prop-2-enylamino)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-chloro-6-fluoro-1-prop-2-enyl-2-(prop-2-enylamino)-1,8-naphthyridin-4-one
PubChem CID20790398
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC Name7-chloro-6-fluoro-1-prop-2-enyl-2-(prop-2-enylamino)-1,8-naphthyridin-4-one
SMILESC=CCNc1cc(=O)c2cc(F)c(Cl)nc2n1CC=C
InChIInChI=1S/C14H13ClFN3O/c1-3-5-17-12-8-11(20)9-7-10(16)13(15)18-14(9)19(12)6-4-2/h3-4,7-8,17H,1-2,5-6H2
InChIKeySQNHFSAAAJMLGZ-UHFFFAOYSA-N
XLogP2.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluoro-1-prop-2-enyl-2-(prop-2-enylamino)-1,8-naphthyridin-4-one?
The IUPAC name of 7-chloro-6-fluoro-1-prop-2-enyl-2-(prop-2-enylamino)-1,8-naphthyridin-4-one (CID 20790398) is 7-chloro-6-fluoro-1-prop-2-enyl-2-(prop-2-enylamino)-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-chloro-6-fluoro-1-prop-2-enyl-2-(prop-2-enylamino)-1,8-naphthyridin-4-one?
The canonical SMILES for 7-chloro-6-fluoro-1-prop-2-enyl-2-(prop-2-enylamino)-1,8-naphthyridin-4-one is C=CCNc1cc(=O)c2cc(F)c(Cl)nc2n1CC=C.
What is the InChIKey of 7-chloro-6-fluoro-1-prop-2-enyl-2-(prop-2-enylamino)-1,8-naphthyridin-4-one?
The InChIKey is SQNHFSAAAJMLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O/c1-3-5-17-12-8-11(20)9-7-10(16)13(15)18-14(9)19(12)6-4-2/h3-4,7-8,17H,1-2,5-6H2.
What are the key properties of 7-chloro-6-fluoro-1-prop-2-enyl-2-(prop-2-enylamino)-1,8-naphthyridin-4-one?
7-chloro-6-fluoro-1-prop-2-enyl-2-(prop-2-enylamino)-1,8-naphthyridin-4-one has a molecular weight of 293.73 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-1-prop-2-enyl-2-(prop-2-enylamino)-1,8-naphthyridin-4-one is sourced from PubChem (CID 20790398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).