7-ethenyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

C14H9N3O3S — CID 11289548

IUPAC7-ethenyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESC=Cc1ccc2c(=O)c(C(=O)O)cn(-c3nccs3)c2n1
InChIInChI=1S/C14H9N3O3S/c1-2-8-3-4-9-11(18)10(13(19)20)7-17(12(9)16-8)14-15-5-6-21-14/h2-7H,1H2,(H,19,20)
InChIKeyCRAVKYQVQNALFV-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.18
Rot. Bonds3

About 7-ethenyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

7-ethenyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 11289548) has the molecular formula C14H9N3O3S and a molecular weight of 299.31 g/mol. Its IUPAC name is 7-ethenyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-ethenyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID11289548
Molecular FormulaC14H9N3O3S
Molecular Weight299.31 g/mol
Exact Mass299.04
IUPAC Name7-ethenyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESC=Cc1ccc2c(=O)c(C(=O)O)cn(-c3nccs3)c2n1
InChIInChI=1S/C14H9N3O3S/c1-2-8-3-4-9-11(18)10(13(19)20)7-17(12(9)16-8)14-15-5-6-21-14/h2-7H,1H2,(H,19,20)
InChIKeyCRAVKYQVQNALFV-UHFFFAOYSA-N
XLogP2.18
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Vosaroxin
CID 9952884
7-[(3R,4R)-3-methoxy-4-(methylamino)pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 9865776
SNS-595;Vosaroxin;AG 7352
CID 18969086
4-{[4-Amino-5-(Pyridin-3-Ylcarbonyl)-1,3-Thiazol-2-Yl]amino}benzoic Acid
CID 73347326
4-[[5-[6-(Dimethylamino)-3-pyridinyl]-2-pyridinyl]methyl]-7-oxothieno[3,2-b]pyridine-6-carboxylic acid
CID 46886023
7-(3-Amino-4-methoxypyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 25204357
7-[3-Hydroxy-4-(methylamino)pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 75216113
7-[(4E)-3-(aminomethyl)-3-methyl-4-phenylmethoxyiminopyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 73331620
7-(3-Aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 9951525
Voreloxin Hydrochloride
CID 10343042
4-Oxo-7-phenyl-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 11175502
7-Ethynyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 11197255

Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-ethenyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (CID 11289548) is 7-ethenyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-ethenyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-ethenyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is C=Cc1ccc2c(=O)c(C(=O)O)cn(-c3nccs3)c2n1.
What is the InChIKey of 7-ethenyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is CRAVKYQVQNALFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O3S/c1-2-8-3-4-9-11(18)10(13(19)20)7-17(12(9)16-8)14-15-5-6-21-14/h2-7H,1H2,(H,19,20).
What are the key properties of 7-ethenyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
7-ethenyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 299.31 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 11289548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).